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4-hydroxy-1-[(1S,2S)-2-(3-ketobutyl)-1,3,3-trimethyl-cyclohexyl]-4-methyl-hex-5-en-1-one
SpectraBase Compound ID C5pZKQLvB7M
InChI InChI=1S/C20H34O3/c1-7-19(5,23)14-11-17(22)20(6)13-8-12-18(3,4)16(20)10-9-15(2)21/h7,16,23H,1,8-14H2,2-6H3/t16-,19?,20-/m0/s1
InChIKey MIBOQXYKXXXWCG-LIXNJBPUSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aA5m39xfqD
Name 4-Hydroxy-1-[(1S,2S)-2-(3-ketobutyl)-1,3,3-trimethyl-cyclohexyl]-4-methyl-hex-5-en-1-one
Alternate Name(s) 4-Hydroxy-4-methyl-1-[(1S,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]-5-hexen-1-one 4-Hydroxy-4-methyl-1-[(1S,2S)-1,3,3-trimethyl-2-(3-oxobutyl)cyclohexyl]hex-5-en-1-one 4-Methyl-4-oxidanyl-1-[(1S,2S)-1,3,3-trimethyl-2-(3-oxidanylidenebutyl)cyclohexyl]hex-5-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-7-19(5,23)14-11-17(22)20(6)13-8-12-18(3,4)16(20)10-9-15(2)21/h7,16,23H,1,8-14H2,2-6H3/t16-,19?,20-/m0/s1
InChIKey MIBOQXYKXXXWCG-LIXNJBPUSA-N
Molecular Weight 322.489 g/mol
SMILES OC(CCC([C@@]1([C@](C(C)(C)CCC1)(CCC(=O)C)[H])C)=O)(C=C)C
SPLASH splash10-004j-6900000000-3ae0cdf84dc1c1bb7a7f
Source of Spectrum F-55-9129-8
Wiley ID 838503