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[( Cyclohexylcarbamoyl)-(4'-nitrophenyl)methyl] Benzoate
SpectraBase Compound ID 6FjtM6KJ7DU
InChI InChI=1S/C21H22N2O5/c24-20(22-17-9-5-2-6-10-17)19(15-11-13-18(14-12-15)23(26)27)28-21(25)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2,(H,22,24)
InChIKey JRBPWFWMSQUKIG-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS6TkVcANCG
Name [( Cyclohexylcarbamoyl)-(4'-nitrophenyl)methyl] Benzoate
Alternate Name(s) 2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl benzoate
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Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c24-20(22-17-9-5-2-6-10-17)19(15-11-13-18(14-12-15)23(26)27)28-21(25)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2,(H,22,24)
InChIKey JRBPWFWMSQUKIG-UHFFFAOYSA-N
Molecular Weight 382.416 g/mol
SMILES N(C(C(OC(=O)c1ccccc1)c1ccc(N(=O)=O)cc1)=O)C1CCCCC1
SPLASH splash10-0a4i-3911000000-cbdff76e1730819268d6
Source of Spectrum AH-84-797-4
Wiley ID 1584690