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2-Amino-6-chloro-1-phenol-4-sulfonic acid->3-carbamoyl-1-phenyl-5-pyrazolon
SpectraBase Compound ID BhKdJ2SaHR7
InChI InChI=1S/C16H12ClN5O6S.Na/c17-10-6-9(29(26,27)28)7-11(14(10)23)19-20-13-12(15(18)24)21-22(16(13)25)8-4-2-1-3-5-8;/h1-7,23,25H,(H2,18,24)(H,26,27,28);/q;+1/p-1/b20-19+;
InChIKey QLQYWPVIXACWFB-RZLHGTIFSA-M
Mol Weight 459.79576928 g/mol
Molecular Formula C16H11ClN5NaO6S
Exact Mass 459.001626 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AzxHMI7XyVO
Name 2-Amino-6-chloro-1-phenol-4-sulfonic acid->3-carbamoyl-1-phenyl-5-pyrazolon
CAS Registry Number 6527-72-6
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Formula C16H11ClN5NaO6S
InChI InChI=1S/C16H12ClN5O6S.Na/c17-10-6-9(29(26,27)28)7-11(14(10)23)19-20-13-12(15(18)24)21-22(16(13)25)8-4-2-1-3-5-8;/h1-7,23,25H,(H2,18,24)(H,26,27,28);/q;+1/p-1/b20-19+;
InChIKey QLQYWPVIXACWFB-RZLHGTIFSA-M
Instrument Name Bruker IFS 85
Synonyms Benzenesulfonic acid, 3-[[3-(aminocarbonyl)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxy-, monosodium salt
Technique KBr-Pellet