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Ethyl ester of 5-oxo-2,4-diphenylcyclohexanecarboxylic acid
SpectraBase Compound ID EFT4r82OTVa
InChI InChI=1S/C21H22O3/c1-2-24-21(23)19-14-20(22)18(16-11-7-4-8-12-16)13-17(19)15-9-5-3-6-10-15/h3-12,17-19H,2,13-14H2,1H3
InChIKey CWJIXFIXXWTICV-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKaZJ6ycAqU
Name Ethyl ester of 5-oxo-2,4-diphenylcyclohexanecarboxylic acid
Alternate Name(s) Ethyl 5-oxo-2,4-diphenylcyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-2-24-21(23)19-14-20(22)18(16-11-7-4-8-12-16)13-17(19)15-9-5-3-6-10-15/h3-12,17-19H,2,13-14H2,1H3
InChIKey CWJIXFIXXWTICV-UHFFFAOYSA-N
Molecular Weight 322.404 g/mol
SMILES C1(C(CC(C(C1)=O)c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-001i-9100000000-77307c5bda216af732ac
Source of Spectrum RB-1982-9426-0
Wiley ID 113243