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3-[(2-chloro-5-nitro-benzoyl)amino]-3-p-phenetyl-propionic acid ethyl ester
SpectraBase Compound ID FzZ8TW4T3WD
InChI InChI=1S/C20H21ClN2O6/c1-3-28-15-8-5-13(6-9-15)18(12-19(24)29-4-2)22-20(25)16-11-14(23(26)27)7-10-17(16)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)
InChIKey GKZJJVYCKCEDCT-UHFFFAOYSA-N
Mol Weight 420.85 g/mol
Molecular Formula C20H21ClN2O6
Exact Mass 420.108814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbCMdbEZeaM
Name 3-[(2-chloro-5-nitro-benzoyl)amino]-3-p-phenetyl-propionic acid ethyl ester
Alternate Name(s) 3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoic acid ethyl ester Ethyl 3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-(4-ethoxyphenyl)propanoate Ethyl 3-[(2-chloro-5-nitro-benzoyl)amino]-3-(4-ethoxyphenyl)propanoate
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Formula C20H21ClN2O6
InChI InChI=1S/C20H21ClN2O6/c1-3-28-15-8-5-13(6-9-15)18(12-19(24)29-4-2)22-20(25)16-11-14(23(26)27)7-10-17(16)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)
InChIKey GKZJJVYCKCEDCT-UHFFFAOYSA-N
Molecular Weight 420.849 g/mol
SMILES N(C(c1ccc(cc1)OCC)CC(OCC)=O)C(=O)c1c(ccc(c1)N(=O)=O)Cl
SPLASH splash10-000i-3940000000-cd6b22aa0d513a90b960
Wiley ID 1445366