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3-methylsulfanyl-5-phenyl-4-phenylsulfanyl-1H-pyrazole

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3-methylsulfanyl-5-phenyl-4-phenylsulfanyl-1H-pyrazole
SpectraBase Compound ID IZyPEvxHuDp
InChI InChI=1S/C16H14N2S2/c1-19-16-15(20-13-10-6-3-7-11-13)14(17-18-16)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKey OXOLKVGTETZMQI-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C16H14N2S2
Exact Mass 298.059841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhWymRrDu9S
Name 3-methylsulfanyl-5-phenyl-4-phenylsulfanyl-1H-pyrazole
Compound Number 111
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14N2S2
InChI InChI=1S/C16H14N2S2/c1-19-16-15(20-13-10-6-3-7-11-13)14(17-18-16)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKey OXOLKVGTETZMQI-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 298.421 g/mol
Solvent CDCl3
Source File Reference UWVP1626