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Ethanone, 1-[2-hydroxy-2,5,5-trimethyl-1-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,1(E),2.beta.]-(.+-.)-
SpectraBase Compound ID IOdWORd9oQL
InChI InChI=1S/C15H24O2/c1-11(2)7-8-15(12(3)16)13(4,5)9-10-14(15,6)17/h7-8,17H,1,9-10H2,2-6H3/b8-7+/t14-,15+/m1/s1
InChIKey CTDCMVDMFRKFHZ-PEGRTIRESA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzowUCqnFqF
Name Ethanone, 1-[2-hydroxy-2,5,5-trimethyl-1-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,1(E),2.beta.]-(.+-.)-
CAS Registry Number 98464-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-11(2)7-8-15(12(3)16)13(4,5)9-10-14(15,6)17/h7-8,17H,1,9-10H2,2-6H3/b8-7+/t14-,15+/m1/s1
InChIKey CTDCMVDMFRKFHZ-PEGRTIRESA-N
Molecular Weight 236.355 g/mol
SMILES O[C@]1([C@](\C=C\C(=C)C)(C(CC1)(C)C)C(=O)C)C
SPLASH splash10-0006-6900000000-ed42d2aacc8c2a76db3a
Source of Spectrum H-68-643-0
Synonyms (E)-2-Hydroxy-2,5,5-trimethyl-1-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone isomer 1-{(1S,2R)-2-hydroxy-2,5,5-trimethyl-1-[(1E)-3-methyl-1,3-butadienyl]cyclopentyl}ethanone Isomer (E)-2-hydroxy-2,5,5-trimethyl-1-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone
Wiley ID 1238697