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3-(PARA-CHLOROPHENYL)-1,4-DIHYDRO-1H,4H-1,2,4-TRIAZOL-5-THIONE

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3-(PARA-CHLOROPHENYL)-1,4-DIHYDRO-1H,4H-1,2,4-TRIAZOL-5-THIONE
SpectraBase Compound ID TF43bKFR9V
InChI InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey NHEHIODVWGKDFV-UHFFFAOYSA-N
Mol Weight 211.67 g/mol
Molecular Formula C8H6ClN3S
Exact Mass 210.997096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3BIdhJdUhJ
Name 3-(PARA-CHLOROPHENYL)-1H-1,2,4-TRIAZOL-5(4H)-THIONE;R1=P-CLC6H4
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6ClN3S
InChI InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey NHEHIODVWGKDFV-UHFFFAOYSA-N
Literature Reference Author U.D.PHALGUNE,K.VANKA,P.R.RAJAMOHANAN
Literature Reference Citation MAGN.RES.CHEM.,51,767(2013)
Literature Reference DOI 10.1002/mrc.4012
Molecular Weight 211.669 g/mol
Solvent DMSO-D6
Source File Reference UWIR13264