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5-Chloro-1-methyl-3-phenyl-4-(phenylthiomethyl)-1H-pyrazole
SpectraBase Compound ID CI6sfoA6raD
InChI InChI=1S/C17H15ClN2S/c1-20-17(18)15(12-21-14-10-6-3-7-11-14)16(19-20)13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey VKIHESOYFXFLGP-UHFFFAOYSA-N
Mol Weight 314.83 g/mol
Molecular Formula C17H15ClN2S
Exact Mass 314.064447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GI95qaJgbBO
Name 5-Chloro-1-methyl-3-phenyl-4-(phenylthiomethyl)-1H-pyrazole
Alternate Name(s) 5-Chloro-1-methyl-3-phenyl-4-((phenylthio)methyl)-1H-pyrazole 5-Chloro-1-methyl-3-phenyl-4-(phenylsulfanylmethyl)pyrazole 5-Chloranyl-1-methyl-3-phenyl-4-(phenylsulfanylmethyl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN2S
InChI InChI=1S/C17H15ClN2S/c1-20-17(18)15(12-21-14-10-6-3-7-11-14)16(19-20)13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey VKIHESOYFXFLGP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900729
Molecular Weight 314.834 g/mol
SMILES c1(n[n](C)c(Cl)c1CSc1ccccc1)-c1ccccc1
SPLASH splash10-0a4i-1091000000-e66173dd82de0767d05b
Source of Spectrum ASC-352-309/SM4-4f
Wiley ID 1764241