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2-(1-Methyl-4-oxo-2,3-diphenyl-1-cyclopent-2-enyl)propanedioic acid diethyl ester
SpectraBase Compound ID 4zJIuJ0yPE0
InChI InChI=1S/C25H26O5/c1-4-29-23(27)22(24(28)30-5-2)25(3)16-19(26)20(17-12-8-6-9-13-17)21(25)18-14-10-7-11-15-18/h6-15,22H,4-5,16H2,1-3H3
InChIKey MZJUXVKWPRJBBM-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeFingFPI4K
Name 2-(1-Methyl-4-oxo-2,3-diphenyl-1-cyclopent-2-enyl)propanedioic acid diethyl ester
Alternate Name(s) 2-(4-keto-1-methyl-2,3-diphenyl-cyclopent-2-en-1-yl)malonic acid diethyl ester Diethyl 2-(1-methyl-4-oxidanylidene-2,3-diphenyl-cyclopent-2-en-1-yl)propanedioate Diethyl 2-(1-methyl-4-oxo-2,3-diphenyl-cyclopent-2-en-1-yl)propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-4-29-23(27)22(24(28)30-5-2)25(3)16-19(26)20(17-12-8-6-9-13-17)21(25)18-14-10-7-11-15-18/h6-15,22H,4-5,16H2,1-3H3
InChIKey MZJUXVKWPRJBBM-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES C1(C(=C(c2ccccc2)C(C1)=O)c1ccccc1)(C(C(=O)OCC)C(=O)OCC)C
SPLASH splash10-052b-0090500000-0d29608998a66fcf8926
Source of Spectrum K1-2004-747-27
Wiley ID 1560342