Geraniol (1TMS) Replica Mass Spectra of Geraniol (1TMS) replica lib entry date detection method species; 3: 30 March 2011 : Fiehn_GC_2010 : 1 spectrum(a) rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol. View the Full Spectrum for FREE! http://spectrabase.com/spectrum/JEi5SWCcFdb, View entire compound with free spectra: 7 NMR, 6 FTIR, and 1 Raman, InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+, Aldrich Chemical Company, Inc., Milwaukee, Wisconsin. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. The GERANIOL molecule consists of 18 Hydrogen atom(s), 10 Carbon atom(s) and 1 Oxygen atom(s) - a total of 29 atom(s). By continuing to browse the site you are agreeing to our use of cookies. http://spectrabase.com/spectrum/JEi5SWCcFdb Geranylgeraniol is a diterpenoid that is hexadeca-2,6,10,14-tetraene substituted by methyl groups at positions 3, 7, 11 and 15 and a hydroxy group at position 1. 1119 Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Create . This site uses cookies. (1) SpectraBase Compound ID=AuQh3kfYvNv Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. It can provide a way to encode the molecular information of GERANIOL to facilitate the search for the compound information in databases and on the web. Geranyl geraniol (E,E,E)-Geranylgeraniol.

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poor, not helpful . 2020-10-24. Thus, the hypothesis was correct. 1H Nuclear Magnetic Resonance (NMR) Chemical Shifts of Geraniol with properties. Google Chrome and Opera, to fully enjoy GMD's functionalities! This message indicates and metabolite profile visualizations. 2,6-DIMETHYL-2,6-OCTADIEN-8-OL More... Molecular Weight: 290.5 g/mol. The GMD web site use latest HTML5 features! trans-3,7-DIMETHYL-2,6-OCTADIEN-1-OL

Relative intensity 100 80 60 40 20 0.0 0.0 40 80 120 160 m / z (i) Show that this mass spectrum can be used to confirm the molar mass of geraniol.

This spectrum was 0 times rated; on average=0.0. Structure, properties, spectra, suppliers and links for: Geraniol, 106-24-1. © 2020 ChemEssen, Inc. All rights reserved. All rights reserved.

The contents of this page can freely be shared if cited as follows: The full standard InChI of GERANIOL is given below: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+.

The molecular weight of GERANIOL is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. Wiley SpectraBase; The TBHP oxygen attacked the Re face of the geraniol, forming the 2S, 3S isomer in exxess. outstanding, most helpful.

Source: Mol-Instincts Chemical Database, Predicted on Quantum.

Copyright © 2020 by John Wiley & Sons, Inc., or related companies. element, please consider to upgrade to a HTML5 ready (accessed Nov 12, 2020). The molecular structure image of GERANIOL is available in chemical structure page of GERANIOL, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in GERANIOL and the chemical bonds that hold the atoms together. View the Full Spectrum for FREE! After extensive analysis of chiral shift 1 H-NMR spectra, it is clear that the Sharpless Asymmetric Epoxidation procedure favored one enantiomer of the 2,3-epoxy geraniol in 83.5% and 76.2% enantiomeric excess. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of GERANIOL is: It may allow easier web searches for GERANIOL. How would you rate the quality of this mass spectrum? LEMONOL. A mixture of [2H7]-geraniol, [2H7]-nerol, [2H7]-linalool and [2H7]-α-terpineol was prepared for use as internal standards in a rapid and accurate analytical method, employing gas chromatography–mass spectrometry (GC/MS), to determine the concentration of geraniol, nerol, linalool and α-terpineol in wine. How would you rate the quality of this mass spectrum? The molecular formula of GERANIOL is given in chemical formula page of GERANIOL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

backward compatibility problems in GMD's mass spectra, chemical compound structure There may be different names of the GERANIOL compound depending on the various situations of industrial applications, which are given below including the registry numbers if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. In addition to the molecular weight information, the structural information of GERANIOL in a textual expression is available via InChi. web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, (2) (b) The mass spectrum of geraniol is shown. Use your answer to calculate the molar mass of geraniol in g mol–1. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. The structure of geraniol is OH Deduce the molecular formula of geraniol. The atomic mass takes into account the isotopic distribution of the element in a given sample.

SpectraBase Spectrum ID=JEi5SWCcFdb 1-Octanol, 3,7-dimethyl-, tetradehydro deriv. As your browser does not support the HTML5 This spectrum was 0 times rated; on average=0.0, service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database -, InChI=1S/C13H26OSi/c1-12(2)8-7-9-13(3)10-11-14-15(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10+, SpectrumJcampDx.ashx?id=3a24b562-4124-4405-af12-a5ab43c97740, SpectrumMsp.ashx?id=3a24b562-4124-4405-af12-a5ab43c97740, Boelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany, retention index (VAR5 method, n-alkanes C10–C36), Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany, OFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2, METHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C, m/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer, C10, C12, C15, C18, C19, C22, C28, C32, C36, COLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C, 30+10m (analytical column + guard column), isotherm 1min 70°C, ramp 9°C/min, isotherm 5min 350°C. The full spectrum can only be viewed using a FREE account. The GERANIOL structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. Please hyperlink "Mol-Instincts" to www.molinstincts.com. 3,7-DIMETHYL-2,6-OCTADIEN-1-OL For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of GERANIOL is available for download in the SDF page of GERANIOL, which provides the information on atoms, bonds, connectivity and coordinates of GERANIOL. It has a role as a plant metabolite, a volatile oil component and an antileishmanial agent. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the GERANIOL as the full standard InChI cannot be reconstructed from the InChIKey. \frac{g}{mol} $$ The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of GERANIOL, 29 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s) and 1 Oxygen atom(s), 28 bond(s) - 10 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 hydroxyl group(s) and 1 primary alcohol(s), 3,7-Dimethyloctan-1-ol, tetradehydro derivative. Exact Mass: 154.135765 g/mol: Transmission Infrared (IR) Spectrum . Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Dates: Modify . 2005-03-27. SpectraBase Spectrum ID: JEi5SWCcFdb: SpectraBase Batch ID: 4jj0toMTxNK: Name: GERANIOL: Source of Sample: Aldrich Chemical Company, Inc., Milwaukee, Wisconsin: Boiling Point: 229-230C: CAS …

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