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5-METHYLTHIO-3-(6-PHENYL-1,3,5-HEXATRIENYL)-PYRAZOLE

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5-METHYLTHIO-3-(6-PHENYL-1,3,5-HEXATRIENYL)-PYRAZOLE
SpectraBase Compound ID C56Gz8lgLx4
InChI InChI=1S/C16H16N2S/c1-19-16-13-15(17-18-16)12-8-3-2-5-9-14-10-6-4-7-11-14/h2-13H,1H3,(H,17,18)/b3-2+,9-5+,12-8+
InChIKey DLWFOTVDQWJCAL-PMHXHJSWSA-N
Mol Weight 268.38 g/mol
Molecular Formula C16H16N2S
Exact Mass 268.10342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VjY0uVZgxM
Name 5-METHYLTHIO-3-(6-PHENYL-1,3,5-HEXATRIENYL)-PYRAZOLE
Compound Number 8M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2S
InChI InChI=1S/C16H16N2S/c1-19-16-13-15(17-18-16)12-8-3-2-5-9-14-10-6-4-7-11-14/h2-13H,1H3,(H,17,18)/b3-2+,9-5+,12-8+
InChIKey DLWFOTVDQWJCAL-PMHXHJSWSA-N
Literature Reference Author M.L.PURKAYASTHA,B.PATRO,H.ILA,H.JUNJAPPA
Literature Reference Citation J.HETCYCL.CHEM.,28,1341(1991)
Literature Reference DOI 10.1002/jhet.5570280528
Molecular Weight 268.376 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWCS718485