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3-[(4-chloro-3-methoxy-phenyl)sulfonylamino]-3-(3-nitrophenyl)propionic acid ethyl ester
SpectraBase Compound ID IPSftVCn7GZ
InChI InChI=1S/C18H19ClN2O7S/c1-3-28-18(22)11-16(12-5-4-6-13(9-12)21(23)24)20-29(25,26)14-7-8-15(19)17(10-14)27-2/h4-10,16,20H,3,11H2,1-2H3
InChIKey KMNHZMYHCRXOQP-UHFFFAOYSA-N
Mol Weight 442.87 g/mol
Molecular Formula C18H19ClN2O7S
Exact Mass 442.06015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AvrJftYyrw
Name 3-[(4-chloro-3-methoxy-phenyl)sulfonylamino]-3-(3-nitrophenyl)propionic acid ethyl ester
Alternate Name(s) 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(4-chloranyl-3-methoxy-phenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[(4-chloro-3-methoxy-phenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate
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Formula C18H19ClN2O7S
InChI InChI=1S/C18H19ClN2O7S/c1-3-28-18(22)11-16(12-5-4-6-13(9-12)21(23)24)20-29(25,26)14-7-8-15(19)17(10-14)27-2/h4-10,16,20H,3,11H2,1-2H3
InChIKey KMNHZMYHCRXOQP-UHFFFAOYSA-N
Molecular Weight 442.870 g/mol
SMILES N(S(c1cc(OC)c(cc1)Cl)(=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-052r-1590000000-273662eabd1dce490a0f
Wiley ID 1443521