6-[(2,3-Dimethylanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid

SpectraBase Compound ID	2a1wBjVINE9
InChI	InChI=1S/C28H27NO3/c1-18-10-9-15-24(19(18)2)29-27(30)25-22(20-11-5-3-6-12-20)16-17-23(26(25)28(31)32)21-13-7-4-8-14-21/h3-17,22-23,25-26H,1-2H3,(H,29,30)(H,31,32)
InChIKey	NPWMPGMYSMFHAR-UHFFFAOYSA-N Google Search
Mol Weight	425.53 g/mol
Molecular Formula	C28H27NO3
Exact Mass	425.199094 g/mol

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SpectraBase Spectrum ID	1hNlyrrEA6
Name	6-[(2,3-Dimethylanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	425.199093730 u
Formula	C28H27NO3
InChI	InChI=1S/C28H27NO3/c1-18-10-9-15-24(19(18)2)29-27(30)25-22(20-11-5-3-6-12-20)16-17-23(26(25)28(31)32)21-13-7-4-8-14-21/h3-17,22-23,25-26H,1-2H3,(H,29,30)(H,31,32)
InChIKey	NPWMPGMYSMFHAR-UHFFFAOYSA-N
Molecular Weight	425.528 g/mol
SMILES	C1(C(NC2=C(C(C)=CC=C2)C)=O)C(C(C2=CC=CC=C2)C=CC1C=1C=CC=CC1)C(=O)O