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2,5-Diphenyl-6-(3-toluidinocarbonyl)-3-cyclohexene-1-carboxylic acid

View entire compound with spectra: 2 MS (GC)

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)

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SpectraBase Spectrum ID DbtIfGPPTHO
Name 1,2,3,6-TETRAHYDRO-3'-METHYL-3,6-DIPHENYLPHTHALANILIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 411.1828
SMILES N(c1cccc(C)c1)C(C1C(C(O)=O)C(C=CC1c1ccccc1)c1ccccc1)=O
SPLASH splash10-0a4i-7940000000-4df01d18b682b9506497
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany