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2-[(4-Methylphenyl)sulfonyl]-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
SpectraBase Compound ID KIgA5qoDgz6
InChI InChI=1S/C13H14N2O3S2/c1-9-2-4-10(5-3-9)20(17,18)15-13(16)11-8-19-7-6-12(11)14-15/h2-5,14H,6-8H2,1H3
InChIKey YWIVSVGCJDOTKB-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C13H14N2O3S2
Exact Mass 310.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gkPyZivdQ
Name 2-[(4-Methylphenyl)sulfonyl]-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3S2
InChI InChI=1S/C13H14N2O3S2/c1-9-2-4-10(5-3-9)20(17,18)15-13(16)11-8-19-7-6-12(11)14-15/h2-5,14H,6-8H2,1H3
InChIKey YWIVSVGCJDOTKB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800276
Molecular Weight 310.386 g/mol
SMILES N1C2=C(C(N1S(c1ccc(cc1)C)(=O)=O)=O)CSCC2
SPLASH splash10-05mo-9301000000-0398f0b49e8ce1456457
Source of Spectrum QA-66-SM16-18e
Synonyms 2-Tosyl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
Wiley ID 1819633