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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lsCTU155R8
Name 1,5,9-Cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, [R-(Z,Z,Z)]-
CAS Registry Number 105662-19-9
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-JCFKDZSPSA-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 splash10-059x-9820000000-a542622d37ffe9cc7c45
Source of Spectrum B-39-1708-13
Synonyms (12R)-12-isopropenyl-1,5,9-trimethyl-1,5,9-cyclotetradecatriene (Z,Z,Z) 1-(1-methylethenyl)-4,8,12-trimethyl-cyclotetradeca-4,8,12-triene
Wiley ID 1276853