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Cyclohexaneacetic acid, 1-methyl-3-oxo-2-(2-propenyl)-, diphenylmethyl ester, trans-
SpectraBase Compound ID JusQQUdc3kc
InChI InChI=1S/C25H28O3/c1-3-11-21-22(26)16-10-17-25(21,2)18-23(27)28-24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h3-9,12-15,21,24H,1,10-11,16-18H2,2H3
InChIKey HDNSOMDPKNOHEV-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H28O3
Exact Mass 376.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTiNKHoVDXw
Name Cyclohexaneacetic acid, 1-methyl-3-oxo-2-(2-propenyl)-, diphenylmethyl ester, trans-
CAS Registry Number 95578-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O3
InChI InChI=1S/C25H28O3/c1-3-11-21-22(26)16-10-17-25(21,2)18-23(27)28-24(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h3-9,12-15,21,24H,1,10-11,16-18H2,2H3
InChIKey HDNSOMDPKNOHEV-UHFFFAOYSA-N
Molecular Weight 376.496 g/mol
SMILES C1(C(C(=O)CCC1)CC=C)(CC(OC(c1ccccc1)c1ccccc1)=O)C
SPLASH splash10-014i-0900000000-38286cca9d4910b89f4b
Source of Spectrum KC-1990-632-16
Synonyms 2-Allyl-3-(diphenylmethoxycarbonylmethyl)-3-methylcyclohexanone benzhydryl (2-allyl-1-methyl-3-oxocyclohexyl)acetate
Wiley ID 1358063