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5-(4-Nitro-benzenesulfonylamino)-isophthalic acid dimethyl ester
SpectraBase Compound ID 3BlhUHQumHN
InChI InChI=1S/C16H14N2O8S/c1-25-15(19)10-7-11(16(20)26-2)9-12(8-10)17-27(23,24)14-5-3-13(4-6-14)18(21)22/h3-9,17H,1-2H3
InChIKey ILROLEFSIJBQNU-UHFFFAOYSA-N
Mol Weight 394.35 g/mol
Molecular Formula C16H14N2O8S
Exact Mass 394.047087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SNWGXKhRMg
Name 5-(4-Nitro-benzenesulfonylamino)-isophthalic acid dimethyl ester
Alternate Name(s) 5-(nosylamino)benzene-1,3-dicarboxylic acid dimethyl ester 5-[(4-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[(4-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate
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Formula C16H14N2O8S
InChI InChI=1S/C16H14N2O8S/c1-25-15(19)10-7-11(16(20)26-2)9-12(8-10)17-27(23,24)14-5-3-13(4-6-14)18(21)22/h3-9,17H,1-2H3
InChIKey ILROLEFSIJBQNU-UHFFFAOYSA-N
Molecular Weight 394.354 g/mol
SMILES N(S(=O)(c1ccc(cc1)N(=O)=O)=O)c1cc(cc(c1)C(OC)=O)C(OC)=O
SPLASH splash10-004i-9721000000-237a4931886eaa82c257
Wiley ID 1451389