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3-methyl-5-(methylthio)-1-phenyl-pyrazole
SpectraBase Compound ID CB1pGQtlEjA
InChI InChI=1S/C11H12N2S/c1-9-8-11(14-2)13(12-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey AHEKFHNOIMDOER-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C11H12N2S
Exact Mass 204.07212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2s5V8OZxsXv
Name 3-methyl-5-(methylthio)-1-phenyl-pyrazole
Compound Number 611
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2S
InChI InChI=1S/C11H12N2S/c1-9-8-11(14-2)13(12-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey AHEKFHNOIMDOER-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 204.290 g/mol
Solvent CDCl3
Source File Reference UWVP1998