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Thioacetic acid, S-[1-acetyl-3-(4-chlorophenyl)-5-methylthio-4-pyrazolyl] ester
SpectraBase Compound ID GgO3HbaDTQT
InChI InChI=1S/C14H13ClN2O2S2/c1-8(18)17-14(20-3)13(21-9(2)19)12(16-17)10-4-6-11(15)7-5-10/h4-7H,1-3H3
InChIKey JVDZFEYVXXGIKV-UHFFFAOYSA-N
Mol Weight 340.84 g/mol
Molecular Formula C14H13ClN2O2S2
Exact Mass 340.010698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtfmoJTu1LM
Name Thioacetic acid, S-[1-acetyl-3-(4-chlorophenyl)-5-methylthio-4-pyrazolyl] ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClN2O2S2
InChI InChI=1S/C14H13ClN2O2S2/c1-8(18)17-14(20-3)13(21-9(2)19)12(16-17)10-4-6-11(15)7-5-10/h4-7H,1-3H3
InChIKey JVDZFEYVXXGIKV-UHFFFAOYSA-N
Molecular Weight 340.843 g/mol
SMILES c1(c([n](C(=O)C)nc1-c1ccc(Cl)cc1)SC)SC(=O)C
SPLASH splash10-052f-9560000000-13cada53483e29347b64
Source of Spectrum AD-0-2532-0
Synonyms Ethanethioic acid S-[1-acetyl-3-(4-chlorophenyl)-5-(methylthio)-4-pyrazolyl] ester S-[1-acetyl-3-(4-chlorophenyl)-5-methylsulfanylpyrazol-4-yl] ethanethioate S-[1-acetyl-3-(4-chlorophenyl)-5-methylsulfanyl-pyrazol-4-yl] ethanethioate S-[3-(4-chlorophenyl)-1-ethanoyl-5-methylsulfanyl-pyrazol-4-yl] ethanethioate
Wiley ID 1427873