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3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
SpectraBase Compound ID JnI0qk4oHM7
InChI InChI=1S/C5H8N2O3S/c1-3-5(11(8,9)10)4(2)7-6-3/h1-2H3,(H,6,7)(H,8,9,10)
InChIKey XWDFGELFGLFBNB-UHFFFAOYSA-N
Mol Weight 176.19 g/mol
Molecular Formula C5H8N2O3S
Exact Mass 176.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68ekfRvAqQx
Name 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
CAS Registry Number 89280-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8N2O3S
InChI InChI=1S/C5H8N2O3S/c1-3-5(11(8,9)10)4(2)7-6-3/h1-2H3,(H,6,7)(H,8,9,10)
InChIKey XWDFGELFGLFBNB-UHFFFAOYSA-N
Molecular Weight 176.190 g/mol
SMILES [nH]1nc(c(S(=O)(=O)O)c1C)C
SPLASH splash10-00kf-9100000000-07a7f64b6c88e60ae25e
Synonyms 3,5-Dimethyl-4-pyrazolesulfonic acid
Wiley ID 1468279