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1-Benzoyl-4-cyano-3-methylmercapto-5-phenyl-pyrazol
SpectraBase Compound ID GzY8QaEUAWQ
InChI InChI=1S/C18H13N3OS/c1-23-17-15(12-19)16(13-8-4-2-5-9-13)21(20-17)18(22)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey DUBDBKRAVMEJBZ-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9E8WdIUyuuK
Name 1-Benzoyl-4-cyano-3-methylmercapto-5-phenyl-pyrazol
Alternate Name(s) 1-Benzoyl-3-(methylthio)-5-phenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-23-17-15(12-19)16(13-8-4-2-5-9-13)21(20-17)18(22)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey DUBDBKRAVMEJBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19783200412
Molecular Weight 319.382 g/mol
SMILES c1(n[n](c(c1C#N)-c1ccccc1)C(c1ccccc1)=O)SC
SPLASH splash10-0aor-0913000000-9fa052d6ae1163eb9936
Source of Spectrum JF-320-594-8i
Wiley ID 1791274