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5-Chloro-1,3-dimethyl-4-[(2-methoxyphenyl)thiomethyl]-1H-pyrazole
SpectraBase Compound ID 53xbBaOvALx
InChI InChI=1S/C13H15ClN2OS/c1-9-10(13(14)16(2)15-9)8-18-12-7-5-4-6-11(12)17-3/h4-7H,8H2,1-3H3
InChIKey OABZBSPPHWNJIA-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 InRh3CZfwPu
Name 5-Chloro-1,3-dimethyl-4-[(2-methoxyphenyl)thiomethyl]-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClN2OS
InChI InChI=1S/C13H15ClN2OS/c1-9-10(13(14)16(2)15-9)8-18-12-7-5-4-6-11(12)17-3/h4-7H,8H2,1-3H3
InChIKey OABZBSPPHWNJIA-UHFFFAOYSA-N
Molecular Weight 282.789 g/mol
SMILES c1(n[n](C)c(Cl)c1CSc1ccccc1OC)C
SPLASH splash10-0006-0910000000-7659c78c7c8c12d9b952
Source of Spectrum ASC-352-309/SM3-4c
Synonyms 5-Chloro-4-(((2-methoxyphenyl)thio)methyl)-1,3-dimethyl-1H-pyrazole 5-Chloro-4-[[(2-methoxyphenyl)thio]methyl]-1,3-dimethylpyrazole 5-Chloro-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-dimethylpyrazole 5-Chloro-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-dimethyl-pyrazole 5-Chloranyl-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-dimethyl-pyrazole
Wiley ID 1764239