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(3Z)-Cembrene A
SpectraBase Compound ID JZNAsv2Zv6p
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-CQFKMJEUSA-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 7XU6zbB0CWF
Name Cembrene A<3Z->
CAS Registry Number 71213-92-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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-CQFKMJEUSA-N
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Number of Peaks 176
SMILES C1C\C(=C\CC\C(=C/C[C@@](CC\C(=C/1)C)(C(=C)C)[H])C)C
SPLASH splash10-066u-9610000000-6d608481d880e6ea1645
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000319