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4-(4-methylphenyl)sulfanyl-3-methylsulfanyl-5-phenyl-1H-pyrazole

View entire compound with spectra: 1 NMR

4-(4-methylphenyl)sulfanyl-3-methylsulfanyl-5-phenyl-1H-pyrazole
SpectraBase Compound ID 1hsUkl28ztE
InChI InChI=1S/C17H16N2S2/c1-12-8-10-14(11-9-12)21-16-15(18-19-17(16)20-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKey FXIWREUHEZWXOB-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C17H16N2S2
Exact Mass 312.075491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVQtgZVeSRt
Name 4-(4-methylphenyl)sulfanyl-3-methylsulfanyl-5-phenyl-1H-pyrazole
Compound Number 110
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2S2
InChI InChI=1S/C17H16N2S2/c1-12-8-10-14(11-9-12)21-16-15(18-19-17(16)20-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKey FXIWREUHEZWXOB-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 312.447 g/mol
Solvent CDCl3
Source File Reference UWVP1625