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4-Cyano-1-methyl-5-methylmercapto-3-phenyl-pyrazol
SpectraBase Compound ID 9R3Kkt9eo9a
InChI InChI=1S/C12H11N3S/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey PMENGFWBTWTIHU-UHFFFAOYSA-N
Mol Weight 229.3 g/mol
Molecular Formula C12H11N3S
Exact Mass 229.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbPa51QL24V
Name 4-Cyano-1-methyl-5-methylmercapto-3-phenyl-pyrazol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3S
InChI InChI=1S/C12H11N3S/c1-15-12(16-2)10(8-13)11(14-15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey PMENGFWBTWTIHU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19783200412
Molecular Weight 229.301 g/mol
SMILES c1(n[n](c(c1C#N)SC)C)-c1ccccc1
SPLASH splash10-0059-0940000000-a9143a6a17a13cc9e637
Source of Spectrum JF-320-593-10a
Synonyms 1-Methyl-5-(methylthio)-3-phenyl-1H-pyrazole-4-carbonitrile
Wiley ID 1791269