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5-Chloro-1,3-dimethyl-4-[(4-methoxyphenyl)thiomethyl]-1H-pyrazole
SpectraBase Compound ID JgH55JmAQkH
InChI InChI=1S/C13H15ClN2OS/c1-9-12(13(14)16(2)15-9)8-18-11-6-4-10(17-3)5-7-11/h4-7H,8H2,1-3H3
InChIKey JJRLBIJNNBXSSZ-UHFFFAOYSA-N
Mol Weight 282.79 g/mol
Molecular Formula C13H15ClN2OS
Exact Mass 282.059362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DciWRlWqmtC
Name 5-Chloro-1,3-dimethyl-4-[(4-methoxyphenyl)thiomethyl]-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClN2OS
InChI InChI=1S/C13H15ClN2OS/c1-9-12(13(14)16(2)15-9)8-18-11-6-4-10(17-3)5-7-11/h4-7H,8H2,1-3H3
InChIKey JJRLBIJNNBXSSZ-UHFFFAOYSA-N
Molecular Weight 282.789 g/mol
SMILES c1(n[n](C)c(Cl)c1CSc1ccc(cc1)OC)C
SPLASH splash10-0006-0910000000-0a2150e8611d3def592a
Source of Spectrum ASC-352-309/SM3-4d
Synonyms 5-Chloro-4-(((4-methoxyphenyl)thio)methyl)-1,3-dimethyl-1H-pyrazole 5-Chloro-4-[[(4-methoxyphenyl)thio]methyl]-1,3-dimethylpyrazole 5-Chloro-4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dimethylpyrazole 5-Chloro-4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dimethyl-pyrazole 5-Chloranyl-4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dimethyl-pyrazole
Wiley ID 1764240