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3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID ELWOLMNubk7
InChI InChI=1S/C11H12N2O3S/c1-8-3-5-10(6-4-8)17(15,16)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
InChIKey XKKDVBVAFSUGTK-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C11H12N2O3S
Exact Mass 252.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xQVykAddEy
Name 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-[(4-methylphenyl)sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O3S
InChI InChI=1S/C11H12N2O3S/c1-8-3-5-10(6-4-8)17(15,16)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
InChIKey XKKDVBVAFSUGTK-UHFFFAOYSA-N
Molecular Weight 252.288 g/mol
SMILES CC1=NN(C(=O)C1)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-000f-9300000000-ee047f1711015086b978
Source of Spectrum JX-2015-1-747
Synonyms 3-Methyl-1-tosyl-1H-pyrazol-5(4H)-one 5-Methyl-2-[(4-methylphenyl)sulfonyl]-2,4-dihydro-3H-pyrazol-3-one 5-Methyl-2-(p-tolylsulfonyl)-4H-pyrazol-3-one 5-Methyl-2-(4-methylphenyl)sulfonyl-4H-pyrazol-3-one
Wiley ID 1721534