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(1-(13)C,1,1-(2)H2)-6,7-dihydrogeraniol
SpectraBase Compound ID F1fpeMjku8S
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+/i8+1D2
InChIKey JNAWJUOCXKIHHG-HHXUSRPSSA-N
Mol Weight 159.27 g/mol
Molecular Formula C913CH18D2O
Exact Mass 159.167324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oI1mt64rZJ
Name (1-(13)C,1,1-(2)H2)-6,7-dihydrogeraniol
Appearance Colourless oil
Carrier Gas Helium
Comments Original formula: C9[13C]H18D2O
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+/i8+1D2
InChIKey JNAWJUOCXKIHHG-HHXUSRPSSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014180
Molecular Weight 159.274 g/mol
Reported Formula C9(13)C1H18D2O
SMILES O[13C](\C=C\(CCCC(C)C)C)([D])[D]
SPLASH splash10-00di-9000000000-69a7c07bb3907016baaf
Source of Spectrum ACI-60-SM72-S5
Thin-Layer Chromatography Rf = 0.30 (pentane/diethyl ether, 7:3)
Wiley ID 1880491