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Benzoic acid, 4-[[[5-(acetylamino)-1-hydroxy-2-naphthalenyl]sulfonyl]amino]-, ethyl ester
SpectraBase Compound ID KT7qtUKXhKW
InChI InChI=1S/C21H20N2O6S/c1-3-29-21(26)14-7-9-15(10-8-14)23-30(27,28)19-12-11-16-17(20(19)25)5-4-6-18(16)22-13(2)24/h4-12,23,25H,3H2,1-2H3,(H,22,24)
InChIKey GVRNRCDTSMYVLK-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2D0vmzbg5r9
Name Benzoic acid, 4-[[[5-(acetylamino)-1-hydroxy-2-naphthalenyl]sulfonyl]amino]-, ethyl ester
Alternate Name(s) Ethyl 4-(5-acetamido-1-hydroxynaphthalene-2-sulfonamido)benzoate Ethyl 4-({[5-(acetylamino)-1-hydroxynaphthalen-2-yl]sulfonyl}amino)benzoate 4-[(5-acetamido-1-hydroxy-2-naphthalenyl)sulfonylamino]benzoic acid ethyl ester Ethyl 4-[(5-acetamido-1-hydroxynaphthalen-2-yl)sulfonylamino]benzoate Ethyl 4-[(5-acetamido-1-hydroxy-2-naphthyl)sulfonylamino]benzoate Ethyl 4-[(5-acetamido-1-oxidanyl-naphthalen-2-yl)sulfonylamino]benzoate
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Formula C21H20N2O6S
InChI InChI=1S/C21H20N2O6S/c1-3-29-21(26)14-7-9-15(10-8-14)23-30(27,28)19-12-11-16-17(20(19)25)5-4-6-18(16)22-13(2)24/h4-12,23,25H,3H2,1-2H3,(H,22,24)
InChIKey GVRNRCDTSMYVLK-UHFFFAOYSA-N
Molecular Weight 428.459 g/mol
SMILES N(c1ccc(C(OCC)=O)cc1)S(c1c(c2cccc(c2cc1)NC(C)=O)O)(=O)=O
SPLASH splash10-01bc-3900100000-f6d92a8b5df8f66fd4d3
Source of Spectrum JX-2015-4-366
Wiley ID 1725808