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5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(methylthio)-1H-pyrazole
SpectraBase Compound ID DiSAjY3Yzt1
InChI InChI=1S/C12H11ClN2S/c1-16-12-8-10(14-15-12)7-6-9-4-2-3-5-11(9)13/h2-8H,1H3,(H,14,15)/b7-6+
InChIKey BEWOGGXGSYNARH-VOTSOKGWSA-N
Mol Weight 250.75 g/mol
Molecular Formula C12H11ClN2S
Exact Mass 250.033147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J74h61VpxaJ
Name 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(methylthio)-1H-pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C12H11ClN2S
InChI InChI=1S/C12H11ClN2S/c1-16-12-8-10(14-15-12)7-6-9-4-2-3-5-11(9)13/h2-8H,1H3,(H,14,15)/b7-6+
InChIKey BEWOGGXGSYNARH-VOTSOKGWSA-N
Molecular Weight 250.747 g/mol
SMILES [nH]1nc(cc1SC)\C=C\c1c(Cl)cccc1
SPLASH splash10-0udi-0090000000-24d7454a4e35581834d1
Source of Spectrum Y-28-1347-8
Synonyms 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole 5-[(E)-2-(2-chlorophenyl)vinyl]-3-(methylthio)-1H-pyrazole 5-[(E)-2-(2-chlorophenyl)vinyl]-3-methylsulfanyl-1H-pyrazole
Wiley ID 1252929