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p-(3-methyl-5-oxo-2-pyrazolin-5-yl)benzenesulfonic acid

View entire compound with spectra: 1 NMR, 3 FTIR, 2 UV-Vis, and 2 MS (GC)

p-(3-methyl-5-oxo-2-pyrazolin-5-yl)benzenesulfonic acid
SpectraBase Compound ID 8RA4CwrHvjn
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C10H10N2O4S
Exact Mass 254.036128 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2DFePAxdUjx
Name 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone
Source of Sample Aldrich
Catalog Number 134163
CAS Registry Number 89-36-1
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2O4S
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
Synonyms 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one; 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
Wiley ID SIAL_ATR-IR_007872