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3-phenylsulfanyl-2H-pyrazole
SpectraBase Compound ID 5huuvtZJ8H7
InChI InChI=1S/C9H8N2S/c1-2-4-8(5-3-1)12-9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKey QFOACKKYAGVUQT-UHFFFAOYSA-N
Mol Weight 176.24 g/mol
Molecular Formula C9H8N2S
Exact Mass 176.040819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpS9ajfaivP
Name 3-phenylsulfanyl-2H-pyrazole
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N2S
InChI InChI=1S/C9H8N2S/c1-2-4-8(5-3-1)12-9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKey QFOACKKYAGVUQT-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 176.236 g/mol
Solvent DMSO-D6:TFA
Source File Reference UWVP1788