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5-Methylthio-3-(4-phenyl-1,3-butadienyl)pyrazole
SpectraBase Compound ID 484kU7D1FRT
InChI InChI=1S/C14H14N2S/c1-17-14-11-13(15-16-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3,(H,15,16)/b9-5-,10-6-
InChIKey PDYAZLXIRIMIKL-OZDSWYPASA-N
Mol Weight 242.34 g/mol
Molecular Formula C14H14N2S
Exact Mass 242.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtWEEdSN75W
Name 5-Methylthio-3-(4-phenyl-1,3-butadienyl)pyrazole
Alternate Name(s) 5-(methylsulfanyl)-3-[(1Z,3Z)-4-phenyl-1,3-butadienyl]-1H-pyrazole 5-Methylthio-3-[4'-phenyl-1',3'-butadienyl]pyrazole Methyl 3-[(1Z,3Z)-4-phenyl-1,3-butadienyl]-1H-pyrazol-5-yl sulfide
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Formula C14H14N2S
InChI InChI=1S/C14H14N2S/c1-17-14-11-13(15-16-14)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3,(H,15,16)/b9-5-,10-6-
InChIKey PDYAZLXIRIMIKL-OZDSWYPASA-N
Molecular Weight 242.340 g/mol
SMILES [nH]1nc(cc1SC)\C=C/C=C\c1ccccc1
SPLASH splash10-00kf-0790000000-f02e5982bd8e244ef9ea
Source of Spectrum Y-28-1347-8
Wiley ID 1245157