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3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
SpectraBase Compound ID GuknBa4OCN5
InChI InChI=1S/C19H19ClN2O5/c1-3-27-18(23)11-16(13-6-4-12(2)5-7-13)21-19(24)14-8-9-15(20)17(10-14)22(25)26/h4-10,16H,3,11H2,1-2H3,(H,21,24)
InChIKey IYQVCHRAODEGGF-UHFFFAOYSA-N
Mol Weight 390.82 g/mol
Molecular Formula C19H19ClN2O5
Exact Mass 390.098249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aZ4vShuThu
Name 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
Alternate Name(s) Ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methylphenyl)propanoate Ethyl 3-[(4-chloro-3-nitro-benzoyl)amino]-3-(p-tolyl)propanoate Ethyl 3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methylphenyl)propanoate
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Formula C19H19ClN2O5
InChI InChI=1S/C19H19ClN2O5/c1-3-27-18(23)11-16(13-6-4-12(2)5-7-13)21-19(24)14-8-9-15(20)17(10-14)22(25)26/h4-10,16H,3,11H2,1-2H3,(H,21,24)
InChIKey IYQVCHRAODEGGF-UHFFFAOYSA-N
Molecular Weight 390.823 g/mol
SMILES N(C(c1ccc(cc1)C)CC(OCC)=O)C(=O)c1cc(c(cc1)Cl)N(=O)=O
SPLASH splash10-0a4i-2941000000-bf04c0a3a4344c584339
Wiley ID 1511683