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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
Mol Weight 425.53 g/mol
Molecular Formula C28H27NO3
Exact Mass 425.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EDEmdvQY1H
Name 6-[(2,3-dimethylanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid
Alternate Name(s) 6-[(2,3-dimethylphenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C(C1C(C(=O)O)C(C=CC1c1ccccc1)c1ccccc1)=O)c1c(c(C)ccc1)C
SPLASH splash10-00di-2920000000-3585a3bf090d49fb5f56
Wiley ID 1459773