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5-Chloro-1,3-dimethyl-4-(phenylthiomethyl)-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

5-Chloro-1,3-dimethyl-4-(phenylthiomethyl)-1H-pyrazole
SpectraBase Compound ID DkpsiRax64q
InChI InChI=1S/C12H13ClN2S/c1-9-11(12(13)15(2)14-9)8-16-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey HFPUKKAECXHCAN-UHFFFAOYSA-N
Mol Weight 252.76 g/mol
Molecular Formula C12H13ClN2S
Exact Mass 252.048797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzeWDzVjgs3
Name 5-Chloro-1,3-dimethyl-4-(phenylthiomethyl)-1H-pyrazole
Alternate Name(s) 5-Chloro-1,3-dimethyl-4-((phenylthio)methyl)-1H-pyrazole 5-Chloro-1,3-dimethyl-4-(phenylsulfanylmethyl)pyrazole 5-Chloranyl-1,3-dimethyl-4-(phenylsulfanylmethyl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2S
InChI InChI=1S/C12H13ClN2S/c1-9-11(12(13)15(2)14-9)8-16-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey HFPUKKAECXHCAN-UHFFFAOYSA-N
Molecular Weight 252.763 g/mol
SMILES c1(C)n[n](c(Cl)c1CSc1ccccc1)C
SPLASH splash10-0006-0900000000-84d2cbda2546c6525117
Source of Spectrum ASC-352-309/SM2-4a
Wiley ID 1764237