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4-Cyano-3-methylmercapto-1,5-diphenyl-pyrazol
SpectraBase Compound ID JzXZ0NBsn
InChI InChI=1S/C17H13N3S/c1-21-17-15(12-18)16(13-8-4-2-5-9-13)20(19-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey OXYZYNPFQXKPKY-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C17H13N3S
Exact Mass 291.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JQRK8GyPMK
Name 4-Cyano-3-methylmercapto-1,5-diphenyl-pyrazol
Alternate Name(s) 3-(methylthio)-1,5-diphenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3S
InChI InChI=1S/C17H13N3S/c1-21-17-15(12-18)16(13-8-4-2-5-9-13)20(19-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey OXYZYNPFQXKPKY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19783200412
Molecular Weight 291.372 g/mol
SMILES c1(n[n](c(c1C#N)-c1ccccc1)-c1ccccc1)SC
SPLASH splash10-052f-0690000000-8f64821312d7a23a73b6
Source of Spectrum JF-320-594-8e
Wiley ID 1791273