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(+)-(5S)-5-Acetyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,4-trimethylcyclohex-2-enone

View entire compound with spectra: 1 MS (GC)

(+)-(5S)-5-Acetyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,4-trimethylcyclohex-2-enone
SpectraBase Compound ID 8KOJ2tUxrCt
InChI InChI=1S/C21H28O4/c1-13-16(21(3,4)17(14(2)22)12-18(13)23)9-7-15-8-10-19(24-5)20(11-15)25-6/h8,10-11,17H,7,9,12H2,1-6H3/t17-/m1/s1
InChIKey GRIQLERRLQBUHN-QGZVFWFLSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9JgRkkG42K
Name (+)-(5S)-5-Acetyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,4-trimethylcyclohex-2-enone
Alternate Name(s) (5S)-5-acetyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,4-trimethyl-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-13-16(21(3,4)17(14(2)22)12-18(13)23)9-7-15-8-10-19(24-5)20(11-15)25-6/h8,10-11,17H,7,9,12H2,1-6H3/t17-/m1/s1
InChIKey GRIQLERRLQBUHN-QGZVFWFLSA-N
Molecular Weight 344.451 g/mol
SMILES C1(C(=C(C([C@](C1)(C(=O)C)[H])(C)C)CCc1cc(c(cc1)OC)OC)C)=O
SPLASH splash10-0udi-0902000000-2d28040dee79f955d984
Source of Spectrum Y1-40-911-16
Wiley ID 1564889