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benzoic acid, 4-[5-[[2-[(3-hydroxyphenyl)amino]-2-oxoethyl]thio]-1H-tetrazol-1-yl]-
SpectraBase Compound ID BePVwxvpaN0
InChI InChI=1S/C16H13N5O4S/c22-13-3-1-2-11(8-13)17-14(23)9-26-16-18-19-20-21(16)12-6-4-10(5-7-12)15(24)25/h1-8,22H,9H2,(H,17,23)(H,24,25)
InChIKey SXWRBKOCOVMOQP-UHFFFAOYSA-N
Mol Weight 371.37 g/mol
Molecular Formula C16H13N5O4S
Exact Mass 371.068825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID epLRJXpB8O
Name 4-[5-[2-(3-hydroxyanilino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoic acid
Alternate Name(s) 4-[5-[2-[(3-hydroxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid 4-[5-[[2-(3-hydroxyanilino)-2-keto-ethyl]thio]tetrazol-1-yl]benzoic acid 4-[5-[[2-(3-hydroxyanilino)-2-oxoethyl]thio]-1-tetrazolyl]benzoic acid
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Formula C16H13N5O4S
InChI InChI=1S/C16H13N5O4S/c22-13-3-1-2-11(8-13)17-14(23)9-26-16-18-19-20-21(16)12-6-4-10(5-7-12)15(24)25/h1-8,22H,9H2,(H,17,23)(H,24,25)
InChIKey SXWRBKOCOVMOQP-UHFFFAOYSA-N
Molecular Weight 371.371 g/mol
SMILES N(C(CSc1[n](-c2ccc(C(=O)O)cc2)nnn1)=O)c1cc(ccc1)O
SPLASH splash10-0gwb-3900000000-087dfe00bbd075c5e149
Wiley ID 1452296