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Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, ethyl ester
SpectraBase Compound ID Lx7MfQmc7YE
InChI InChI=1S/C29H25NO4/c1-3-34-27(31)24(18-20-14-16-21(19-30)17-15-20)29(28(32)33-2)25(22-10-6-4-7-11-22)26(29)23-12-8-5-9-13-23/h4-17,24H,3,18H2,1-2H3
InChIKey MHPLSTIOUUIRCZ-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C29H25NO4
Exact Mass 451.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqWFynvslj3
Name Benzenepropanoic acid, 4-cyano-.alpha.-[1-(methoxycarbonyl)-2,3-diphenyl-2-cyclopropen-1-yl]-, ethyl ester
Alternate Name(s) Methyl 1-(2-p-cyanophenyl-1-ethoxy carbonyl)-2,3-diphenyl-2-cyclopropenoic acid Methyl 1-[1-(4-cyanobenzyl)-2-ethoxy-2-oxoethyl]-2,3-diphenyl-2-cyclopropene-1-carboxylate
CAS Registry Number 67472-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO4
InChI InChI=1S/C29H25NO4/c1-3-34-27(31)24(18-20-14-16-21(19-30)17-15-20)29(28(32)33-2)25(22-10-6-4-7-11-22)26(29)23-12-8-5-9-13-23/h4-17,24H,3,18H2,1-2H3
InChIKey MHPLSTIOUUIRCZ-UHFFFAOYSA-N
Molecular Weight 451.522 g/mol
SMILES C1(C(c2ccccc2)=C1c1ccccc1)(C(C(=O)OCC)Cc1ccc(C#N)cc1)C(=O)OC
SPLASH splash10-0f7c-0129200000-4dc5ca2d861474956f77
Source of Spectrum C-100-4171-0
Wiley ID 1388024