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Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt

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Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt
SpectraBase Compound ID 1GYF2TRAwAi
InChI InChI=1S/C17H15ClN4O7S2.2Na/c1-9-7-13(31(27,28)29)8-14(18)16(9)22-17(23)15(10(2)21-22)20-19-11-3-5-12(6-4-11)30(24,25)26;;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;;
InChIKey WRJZUGHPWBPSRA-LLIZZRELSA-L
Mol Weight 530.86453856 g/mol
Molecular Formula C17H13ClN4Na2O7S2
Exact Mass 529.970957 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6NevK1Ne1hv
Name Benzenesulfonic acid, 3-chloro-4-[4,5-dihydro-3-methyl-5-oxo- 6-[(4-sulfophenyl)azo]-1H-pyrazol-1-yl]-5-methyl-, disodium salt
CAS Registry Number 6359-54-2
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H13ClN4Na2O7S2
InChI InChI=1S/C17H15ClN4O7S2.2Na/c1-9-7-13(31(27,28)29)8-14(18)16(9)22-17(23)15(10(2)21-22)20-19-11-3-5-12(6-4-11)30(24,25)26;;/h3-8,23H,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b20-19+;;
InChIKey WRJZUGHPWBPSRA-LLIZZRELSA-L
Instrument Name Bruker IFS 85
Synonyms Sulfanilic acid->1-(6-chlor-4-sulfo-o-tolyl)-3-methyl-5-pyrazolon
Technique KBr-Pellet