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2-Amino-4-nitrophenol->3-methyl-1-(p-sulfophenyl)-5-pyrazolon
SpectraBase Compound ID JYiL4nCYN1U
InChI InChI=1S/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,22-23H,1H3,(H,26,27,28);/q;+1/p-1/b18-17+;
InChIKey TZCDTNNMEVKLPQ-ZAGWXBKKSA-M
Mol Weight 441.34976928 g/mol
Molecular Formula C16H12N5NaO7S
Exact Mass 441.035513 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2cXkS2SflJr
Name 2-Amino-4-nitrophenol->3-methyl-1-(p-sulfophenyl)-5-pyrazolon
CAS Registry Number 34522-07-1
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Formula C16H12N5NaO7S
InChI InChI=1S/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,22-23H,1H3,(H,26,27,28);/q;+1/p-1/b18-17+;
InChIKey TZCDTNNMEVKLPQ-ZAGWXBKKSA-M
Instrument Name Bruker IFS 85
Synonyms Benzenesulfonic acid, 4-[5-hydroxy-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-1H-pyrazol-1-yl]-, monosodium salt
Technique KBr-Pellet