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(1R,3Z,7Z,11Z)-Cembra-3,7,11,15-tetra-ene;(R)-all-cis-cembrene-A

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1R,3Z,7Z,11Z)-Cembra-3,7,11,15-tetra-ene;(R)-all-cis-cembrene-A
SpectraBase Compound ID 4iJme4oHaMI
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-JCFKDZSPSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HuHD1BI5Zs0
Name (1R,3Z,7Z,11Z)-Cembra-3,7,11,15-tetra-ene;(R)-all-cis-cembrene-A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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-/t20-/m0/s1
InChIKey VWSPQDDPRITBAM-JCFKDZSPSA-N
Molecular Weight 272.476 g/mol
SMILES C\C=1CC\C=C/(CC[C@@](C(=C)C)(C\C=C/(CCC/1)C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960508