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Ethanone, 1-[2-hydroxy-2,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,2.alpha.,3.beta.(E)]-(.+-.)-
SpectraBase Compound ID EeStxEDBBHf
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-QDNCQOEHSA-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 E29QwfX5DCI
Name Ethanone, 1-[2-hydroxy-2,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)cyclopentyl]-, [1.alpha.,2.alpha.,3.beta.(E)]-(.+-.)-
CAS Registry Number 98464-43-8
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-QDNCQOEHSA-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 splash10-0006-9700000000-54a58142d99ed8407ec9
Source of Spectrum H-68-644-0
Synonyms 1-{(1S,2S,3S)-2-hydroxy-2,4,4-trimethyl-3-[(1E)-3-methyl-1,3-butadienyl]cyclopentyl}ethanone Isomer (E,1RS,2RS)-2-hydroxy-2,4,4-trimethyl-3-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone Isomer (E,1RS,2SR)-2-hydroxy-2,4,4-trimethyl-3-(3'-methyl-1',3'-butadienyl)cyclopentyl methyl ketone
Wiley ID 1238701