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5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylthio)-1H-pyrazole
SpectraBase Compound ID 63yyx6b5DWv
InChI InChI=1S/C13H14N2OS/c1-16-12-7-4-10(5-8-12)3-6-11-9-13(17-2)15-14-11/h3-9H,1-2H3,(H,14,15)/b6-3+
InChIKey CWCCWKGOVBBZSM-ZZXKWVIFSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qaflbQKIbv
Name 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(methylthio)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c1-16-12-7-4-10(5-8-12)3-6-11-9-13(17-2)15-14-11/h3-9H,1-2H3,(H,14,15)/b6-3+
InChIKey CWCCWKGOVBBZSM-ZZXKWVIFSA-N
Molecular Weight 246.328 g/mol
SMILES [nH]1nc(cc1SC)\C=C\c1ccc(cc1)OC
SPLASH splash10-0002-0090000000-0c480f7436a39b2793f3
Source of Spectrum Y-28-1347-8
Synonyms 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole 5-[(E)-2-(4-methoxyphenyl)vinyl]-3-(methylthio)-1H-pyrazole 5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methylsulfanyl-1H-pyrazole
Wiley ID 1248786