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(E)-alpha-Bisabolene
SpectraBase Compound ID 7npRoD7L10J
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+
InChIKey YHBUQBJHSRGZNF-VGOFMYFVSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZAMPPbz0PJ
Name Bisabolene <(E)-, alpha->
Source of Sample SAFC Cat.no. W522600
CAS Registry Number 25532-79-0
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 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+
InChIKey YHBUQBJHSRGZNF-VGOFMYFVSA-N
Molecular Weight 204.357 g/mol
Number of Peaks 50
RI1 1540
RI2 1216
SMILES C1C(=CCC(C1)\C(=C\CC=C(C)C)C)C
SPLASH splash10-0006-9400000000-72e056cb52373e7baf7f
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclohexene, 4-[(1E)-1,5-dimethyl-1,4-hexadienyl]-1-methyl-
Wiley ID LM_FFNSC3_1688