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Ethanone, 1-[2-hydroxy-2,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,2.beta.,3.beta.(E)]-(.+-.)-
SpectraBase Compound ID Cdcd0hyhpym
InChI InChI=1S/C15H24O2/c1-10(2)7-8-13-14(4,5)9-12(11(3)16)15(13,6)17/h7-8,12-13,17H,1,9H2,2-6H3/b8-7+/t12-,13+,15+/m1/s1
InChIKey ZXWQZBFXJGPNCY-QJTMYAAYSA-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 5ZLy4DbHivG
Name Ethanone, 1-[2-hydroxy-2,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,2.beta.,3.beta.(E)]-(.+-.)-
CAS Registry Number 98464-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10(2)7-8-13-14(4,5)9-12(11(3)16)15(13,6)17/h7-8,12-13,17H,1,9H2,2-6H3/b8-7+/t12-,13+,15+/m1/s1
InChIKey ZXWQZBFXJGPNCY-QJTMYAAYSA-N
Molecular Weight 236.355 g/mol
SMILES O[C@]1([C@](CC([C@@]1(\C=C\C(=C)C)[H])(C)C)(C(=O)C)[H])C
SPLASH splash10-0006-9600000000-6abc50e9ba2c984ecbb8
Source of Spectrum H-68-644-0
Synonyms (E,1RS,2RS)-2-hydroxy-2,4,4-trimethyl-3-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone isomer A (E,1RS,2SR)-2-hydroxy-2,4,4-trimethyl-3-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone isomer A 1-{(1S,2R,3S)-2-hydroxy-2,4,4-trimethyl-3-[(1E)-3-methyl-1,3-butadienyl]cyclopentyl}ethanone
Wiley ID 1238699