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[( Cyclohexylcarbamoyl)-(3'-nitrophenyl)methyl] 4"-Chlorobenzoate
SpectraBase Compound ID 4W7ySHCfmfQ
InChI InChI=1S/C21H21ClN2O5/c22-16-11-9-14(10-12-16)21(26)29-19(15-5-4-8-18(13-15)24(27)28)20(25)23-17-6-2-1-3-7-17/h4-5,8-13,17,19H,1-3,6-7H2,(H,23,25)
InChIKey PGYKDVCHUSZDDQ-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlsZs2ua7Su
Name [( Cyclohexylcarbamoyl)-(3'-nitrophenyl)methyl] 4"-Chlorobenzoate
Alternate Name(s) 2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl 4-chlorobenzoate 4-Chlorobenzoic acid [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl] ester [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl] 4-chlorobenzoate [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxo-ethyl] 4-chlorobenzoate [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-chloranylbenzoate
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Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/c22-16-11-9-14(10-12-16)21(26)29-19(15-5-4-8-18(13-15)24(27)28)20(25)23-17-6-2-1-3-7-17/h4-5,8-13,17,19H,1-3,6-7H2,(H,23,25)
InChIKey PGYKDVCHUSZDDQ-UHFFFAOYSA-N
Molecular Weight 416.861 g/mol
SMILES N(C(C(OC(c1ccc(cc1)Cl)=O)c1cc(N(=O)=O)ccc1)=O)C1CCCCC1
SPLASH splash10-000i-3900200000-929521239bbd48327143
Source of Spectrum AH-84-797-4
Wiley ID 1584688