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5-OXO-1-(p-SULFOPHENYL)-2-PYRAZOLIN-3-CARBOXYLIC ACID, MONOSODIUM SALT

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5-OXO-1-(p-SULFOPHENYL)-2-PYRAZOLIN-3-CARBOXYLIC ACID, MONOSODIUM SALT
SpectraBase Compound ID 6KgfQJBKwoq
InChI InChI=1S/2C10H8N2O6S.2Na/c2*13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-4H,5H2,(H,14,15)(H,16,17,18);1-5,13H,(H,14,15)(H,16,17,18);;/q;;2*+1/p-2
InChIKey AEWHYEWOXKTYSV-UHFFFAOYSA-L
Mol Weight 306.22 g/mol
Molecular Formula C10H7N2NaO6S
Exact Mass 305.992251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im6ilI9Tv9U
Name 5-OXO-1-(p-SULFOPHENYL)-2-PYRAZOLIN-3-CARBOXYLIC ACID, MONOSODIUM SALT
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 52126-51-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N2NaO6S
InChI InChI=1S/2C10H8N2O6S.2Na/c2*13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-4H,5H2,(H,14,15)(H,16,17,18);1-5,13H,(H,14,15)(H,16,17,18);;/q;;2*+1/p-2
InChIKey AEWHYEWOXKTYSV-UHFFFAOYSA-L
Molecular Weight 306.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-PYRAZOLIN-3-CARBOXYLIC ACID, 5-OXO-1-/P-SULFOPHENYL/-, MONOSODIUM SALT 2-PYRAZOLIN-3-CARBOXYLIC ACID, 5-OXO-1-/P-SULFOPHENYL/-, MONOSODIUM SALT 5-PYRAZOLONE, 3-CARBOXY-1-/4'- SULFOPHENYL/-, SODIUM SALT 5-PYRAZOLONE, 3-CARBOXY-1-/4'- SULFOPHENYL/-, SODIUM SALT