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Ethyl N-[2'-[1'-(3-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonyl glycinate
SpectraBase Compound ID 5HLEQWL6mhh
InChI InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)18-10-8-16(2)9-11-18)20-7-5-4-6-19(20)22-13-12-17(14-22)24(26)27/h4-14H,3,15H2,1-2H3
InChIKey USKKAYHFIPTYTL-UHFFFAOYSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGpv8plEbR9
Name Ethyl N-[2'-[1'-(3-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonyl glycinate
Alternate Name(s) 2-[N-(4-methylphenyl)sulfonyl-2-(3-nitro-1-pyrrolyl)anilino]acetic acid ethyl ester Ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(3-nitropyrrol-1-yl)anilino]acetate Ethyl 2-[2-(3-nitropyrrol-1-yl)-N-(p-tolylsulfonyl)anilino]acetate Ethyl 2-[(4-methylphenyl)sulfonyl-[2-(3-nitropyrrol-1-yl)phenyl]amino]ethanoate
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Formula C21H21N3O6S
InChI InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)18-10-8-16(2)9-11-18)20-7-5-4-6-19(20)22-13-12-17(14-22)24(26)27/h4-14H,3,15H2,1-2H3
InChIKey USKKAYHFIPTYTL-UHFFFAOYSA-N
Molecular Weight 443.474 g/mol
SMILES c1(N(S(c2ccc(cc2)C)(=O)=O)CC(=O)OCC)c(-[n]2cc(N(=O)=O)cc2)cccc1
SPLASH splash10-02tc-0590000000-7093edaa899447822dc6
Source of Spectrum F-52-4492-6
Wiley ID 795983