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1H-Pyrazole-3-carboxylic acid, 1-(2-chloro-6-methyl-4-sulfophenyl)-4,5-dihydro-5-oxo-4-(phenylazo)-, disodium salt

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1H-Pyrazole-3-carboxylic acid, 1-(2-chloro-6-methyl-4-sulfophenyl)-4,5-dihydro-5-oxo-4-(phenylazo)-, disodium salt
SpectraBase Compound ID DOuVEEk4C0F
InChI InChI=1S/C17H13ClN4O6S.2Na/c1-9-7-11(29(26,27)28)8-12(18)15(9)22-16(23)13(14(21-22)17(24)25)20-19-10-5-3-2-4-6-10;;/h2-8,23H,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2/b20-19+;;
InChIKey RFWWAKBYDKAFNR-LLIZZRELSA-L
Mol Weight 480.78953856 g/mol
Molecular Formula C17H11ClN4Na2O6S
Exact Mass 479.988322 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6FF717i5M6S
Name 1H-Pyrazole-3-carboxylic acid, 1-(2-chloro-6-methyl-4-sulfophenyl)-4,5-dihydro-5-oxo-4-(phenylazo)-, disodium salt
CAS Registry Number 1934-23-2
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H11ClN4Na2O6S
InChI InChI=1S/C17H13ClN4O6S.2Na/c1-9-7-11(29(26,27)28)8-12(18)15(9)22-16(23)13(14(21-22)17(24)25)20-19-10-5-3-2-4-6-10;;/h2-8,23H,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2/b20-19+;;
InChIKey RFWWAKBYDKAFNR-LLIZZRELSA-L
Instrument Name Bruker IFS 85
Synonyms Aniline->3-carboxy-1-(6-chlor-4-sulfo-o-tolyl)-5-pyrazolon
Technique KBr-Pellet