For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,5-Diphenyl-6-(3-toluidinocarbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID KBj8jwuUOnv
InChI InChI=1S/C27H25NO3/c1-18-9-8-14-21(17-18)28-26(29)24-22(19-10-4-2-5-11-19)15-16-23(25(24)27(30)31)20-12-6-3-7-13-20/h2-17,22-25H,1H3,(H,28,29)(H,30,31)
InChIKey DKOXAZTZHHSMGP-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C27H25NO3
Exact Mass 411.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8NUn1MD6tbt
Name 2,5-Diphenyl-6-(3-toluidinocarbonyl)-3-cyclohexene-1-carboxylic acid
Alternate Name(s) 1,2,3,6-Tetrahydro-3'-methyl-3,6-diphenylphthalanilic acid 6-(m-tolylcarbamoyl)-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid 6-[(3-methylanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylic acid 6-[(3-methylphenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylic acid
CAS Registry Number 322756-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25NO3
InChI InChI=1S/C27H25NO3/c1-18-9-8-14-21(17-18)28-26(29)24-22(19-10-4-2-5-11-19)15-16-23(25(24)27(30)31)20-12-6-3-7-13-20/h2-17,22-25H,1H3,(H,28,29)(H,30,31)
InChIKey DKOXAZTZHHSMGP-UHFFFAOYSA-N
Molecular Weight 411.501 g/mol
SMILES N(C(C1C(C=CC(C1C(=O)O)c1ccccc1)c1ccccc1)=O)c1cc(ccc1)C
SPLASH splash10-0a4i-7940000000-378c56fdb09d770fc6ee
Wiley ID 1467826