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4-[4-(dicyclohexylcarbamoyl)benzoyl]benzoic acid
SpectraBase Compound ID H4nvLFselB
InChI InChI=1S/C27H31NO4/c29-25(20-13-17-22(18-14-20)27(31)32)19-11-15-21(16-12-19)26(30)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h11-18,23-24H,1-10H2,(H,31,32)
InChIKey WOGXIYGSNQXCGQ-UHFFFAOYSA-N
Mol Weight 433.55 g/mol
Molecular Formula C27H31NO4
Exact Mass 433.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkIVwbgmmyL
Name 4-[4-(dicyclohexylcarbamoyl)benzoyl]benzoic acid
Alternate Name(s) 4-[4-(dicyclohexylcarbamoyl)phenyl]carbonylbenzoic acid 4-[[4-[(dicyclohexylamino)-oxomethyl]phenyl]-oxomethyl]benzoic acid
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Formula C27H31NO4
InChI InChI=1S/C27H31NO4/c29-25(20-13-17-22(18-14-20)27(31)32)19-11-15-21(16-12-19)26(30)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h11-18,23-24H,1-10H2,(H,31,32)
InChIKey WOGXIYGSNQXCGQ-UHFFFAOYSA-N
Molecular Weight 433.548 g/mol
SMILES OC(c1ccc(C(c2ccc(C(N(C3CCCCC3)C3CCCCC3)=O)cc2)=O)cc1)=O
SPLASH splash10-0udi-0390100000-8d95e90304545122320b
Source of Spectrum D9-335-86-4
Wiley ID 1550909