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1-[5-(methylthio)-3-[(E)-2-phenylethenyl]-1-pyrazolyl]ethanone
SpectraBase Compound ID 74H3VOuIowE
InChI InChI=1S/C14H14N2OS/c1-11(17)16-14(18-2)10-13(15-16)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+
InChIKey APQJJILROWPMOB-CMDGGOBGSA-N
Mol Weight 258.34 g/mol
Molecular Formula C14H14N2OS
Exact Mass 258.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUzIBXCeJrt
Name 1-[5-(methylthio)-3-[(E)-2-phenylethenyl]-1-pyrazolyl]ethanone
Alternate Name(s) 1-[5-(methylthio)-3-[(E)-styryl]pyrazol-1-yl]ethanone 1-[5-methylsulfanyl-3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone 1-[5-methylsulfanyl-3-[(E)-styryl]pyrazol-1-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2OS
InChI InChI=1S/C14H14N2OS/c1-11(17)16-14(18-2)10-13(15-16)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+
InChIKey APQJJILROWPMOB-CMDGGOBGSA-N
Molecular Weight 258.339 g/mol
SMILES c1([n](nc(c1)\C=C\c1ccccc1)C(=O)C)SC
SPLASH splash10-067i-0390000000-d1e25c823721d8e863f5
Source of Spectrum Y-28-1348-6
Wiley ID 1261637