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5-(4-Methylphenyl)-3-(methylsulfanyl)-1H-pyrazole
SpectraBase Compound ID 1NrvRSnECnv
InChI InChI=1S/C11H12N2S/c1-8-3-5-9(6-4-8)10-7-11(14-2)13-12-10/h3-7H,1-2H3,(H,12,13)
InChIKey DJXXOURQINQRBE-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C11H12N2S
Exact Mass 204.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpV45O181r8
Name 5-(4-Methylphenyl)-3-(methylsulfanyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2S
InChI InChI=1S/C11H12N2S/c1-8-3-5-9(6-4-8)10-7-11(14-2)13-12-10/h3-7H,1-2H3,(H,12,13)
InChIKey DJXXOURQINQRBE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201300070
Molecular Weight 204.291 g/mol
SMILES [nH]1c(cc(n1)SC)-c1ccc(cc1)C
SPLASH splash10-0uk9-3970000000-62fea721548349825479
Source of Spectrum H-96-2243-2f
Synonyms 3-(methylthio)-5-(p-tolyl)-1H-pyrazole
Wiley ID 1784645