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Cubebene<alpha->
SpectraBase Compound ID WclG4A04T5
InChI InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1
InChIKey XUEHVOLRMXNRKQ-AIEDFZFUSA-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 8cOnyhkndiS
Name Cubebene
Source of Sample Sigma-Aldrich Cat. #448567
CAS Registry Number 31141-66-9
Classification Pesticides: Insecticides
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/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m0/s1
InChIKey XUEHVOLRMXNRKQ-AIEDFZFUSA-N
Molecular Weight 204.357 g/mol
Number of Peaks 50
RI1 1349
SMILES [C@]123[C@@]([C@](CC[C@@]3(C)[H])(C(C)C)[H])([C@@]2(C(=CC1)C)[H])[H]
SPLASH splash10-07bf-5900000000-5c4075d09f612d7b2419
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aR,3bS,4R,7S,7aS)-
Wiley ID LM_PEST_959