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Neocembrene
SpectraBase Compound ID 2T0PAp8BADf
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+/t20-/m0/s1
InChIKey VWSPQDDPRITBAM-KPGNMOGWSA-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 AeCnNXo0n05
Name (1E,5E,9E,12R)-1,5,9-trimethyl-12-(1-methylethenyl)cyclotetradeca-1,5,9-triene
Alternate Name(s) (1E,5E,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-1,5,9-triene (1E,5E,9E,12R)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene
CAS Registry Number 31570-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/t20-/m0/s1
InChIKey VWSPQDDPRITBAM-KPGNMOGWSA-N
Molecular Weight 272.476 g/mol
SMILES C([C@]1(C\C=C\(CC\C=C\(CC\C=C\(CC1)C)C)C)[H])(=C)C
SPLASH splash10-067l-9310000000-b8daf38835f1363aa34f
Source of Spectrum SO-0-739-1
Wiley ID 873774