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6-Amino-4-nitro-1-phenol-2-sulfonacid->1-(m-chlorphenyl)-3-methyl-5-pyrazolon
SpectraBase Compound ID BRJjMSRDW6p
InChI InChI=1S/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,23-24H,1H3,(H,27,28,29);/q;+1/p-1/b19-18+;
InChIKey CQTYDKQMISTGIG-LTRPLHCISA-M
Mol Weight 475.79476928 g/mol
Molecular Formula C16H11ClN5NaO7S
Exact Mass 474.996541 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BQGIkMOP6EL
Name 6-Amino-4-nitro-1-phenol-2-sulfonacid->1-(m-chlorphenyl)-3-methyl-5-pyrazolon
CAS Registry Number 6359-96-2
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H11ClN5NaO7S
InChI InChI=1S/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,23-24H,1H3,(H,27,28,29);/q;+1/p-1/b19-18+;
InChIKey CQTYDKQMISTGIG-LTRPLHCISA-M
Instrument Name Bruker IFS 85
Synonyms Benzenesulfonic acid, 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitro-, monosodium salt
Technique KBr-Pellet