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Cembrene A
SpectraBase Compound ID 7rHZSL85K31
InChI InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+
InChIKey VWSPQDDPRITBAM-GDVLXBNMSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFcvoGYCA8e
Name (R,1E,5E,9E)-1,5,9-Trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
CAS Registry Number 31570-39-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
InChI InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+
InChIKey VWSPQDDPRITBAM-GDVLXBNMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Quality 982
Retention Index 1967
SMILES C1(C(=C)C)C\C=C\(CC\C=C\(CC\C=C\(CC1)C)C)C
SPLASH splash10-066u-9600000000-4c392d066707e4c7e174
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 12-Isopropenyl-1,5,9-trimethyl-1,5,9-cyclotetradecatriene
Technique GC/MS
Wiley ID DD2024_023425