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3-(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

View entire compound with spectra: 1 MS (GC)

3-(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
SpectraBase Compound ID KZOmebf0Bey
InChI InChI=1S/C10H10N2O4S/c1-7-5-10(13)11-12(7)8-3-2-4-9(6-8)17(14,15)16/h2-6H,1H3,(H,11,13)(H,14,15,16)
InChIKey ZUYKTWRVMMANSJ-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C10H10N2O4S
Exact Mass 254.036128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78mM0KLGyGH
Name 3-(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2O4S
InChI InChI=1S/C10H10N2O4S/c1-7-5-10(13)11-12(7)8-3-2-4-9(6-8)17(14,15)16/h2-6H,1H3,(H,11,13)(H,14,15,16)
InChIKey ZUYKTWRVMMANSJ-UHFFFAOYSA-N
Molecular Weight 254.260 g/mol
SMILES N1N(c2cccc(S(O)(=O)=O)c2)C(C)=CC1=O
SPLASH splash10-0zfr-9440000000-64979af74ece0b3b298c
Source of Spectrum JX-2015-1-819
Wiley ID 1721599