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

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5-Chloro-1,3-dimethyl-4-(phenylsulfinylmethyl)-1H-pyrazole
SpectraBase Compound ID H7wndvkHZkV
InChI InChI=1S/C12H13ClN2OS/c1-9-11(12(13)15(2)14-9)8-17(16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey UPTGQDFEHBBNOS-UHFFFAOYSA-N
Mol Weight 268.76 g/mol
Molecular Formula C12H13ClN2OS
Exact Mass 268.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D01QneHzufw
Name 5-Chloro-1,3-dimethyl-4-(phenylsulfinylmethyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2OS
InChI InChI=1S/C12H13ClN2OS/c1-9-11(12(13)15(2)14-9)8-17(16)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey UPTGQDFEHBBNOS-UHFFFAOYSA-N
Molecular Weight 268.762 g/mol
SMILES c1(n[n](c(Cl)c1CS(c1ccccc1)=O)C)C
SPLASH splash10-0006-0940000000-71903b57076c91006e96
Source of Spectrum ASC-352-309/SM6-1a
Synonyms 5-Chloro-1,3-dimethyl-4-((phenylsulfinyl)methyl)-1H-pyrazole
Wiley ID 1764231