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(5S)-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-(1-methylethenyl)-1-cyclohex-2-enone
SpectraBase Compound ID 6xfnVvASAr8
InChI InChI=1S/C21H34O/c1-15(2)18-14-19(22)16(3)17(20(18,4)5)10-13-21(6)11-8-7-9-12-21/h18H,1,7-14H2,2-6H3/t18-/m0/s1
InChIKey BBZRJUGXFDQWRI-SFHVURJKSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeKJG7ywFqG
Name (5S)-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-(1-methylethenyl)-1-cyclohex-2-enone
Alternate Name(s) (5S)-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]-5-prop-1-en-2-yl-cyclohex-2-en-1-one (5S)-5-isopropenyl-2,4,4-trimethyl-3-[2-(1-methylcyclohexyl)ethyl]cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-15(2)18-14-19(22)16(3)17(20(18,4)5)10-13-21(6)11-8-7-9-12-21/h18H,1,7-14H2,2-6H3/t18-/m0/s1
InChIKey BBZRJUGXFDQWRI-SFHVURJKSA-N
Molecular Weight 302.502 g/mol
SMILES C=1(C([C@](C(=C)C)(CC(C1C)=O)[H])(C)C)CCC1(C)CCCCC1
SPLASH splash10-000b-6893000000-00d07fadb5acd35f93c5
Source of Spectrum KC-0-3144-19
Wiley ID 826660