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3-PHENYL-5-DICYANOMETHYL-1,2,3,4-THIATRIAZOLE

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3-PHENYL-5-DICYANOMETHYL-1,2,3,4-THIATRIAZOLE
SpectraBase Compound ID JFysGjcrIlF
InChI InChI=1S/C10H6N5S/c11-6-8(7-12)10-13-15(14-16-10)9-4-2-1-3-5-9/h1-5,8H/q+1
InChIKey RWMMSURICTVCER-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C10H6N5S
Exact Mass 228.034391 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFnu1129Bgk
Name 3-PHENYL-1-THIA-2,3,4-TRIAZOL-3-IUM-5-YL-METHANIDE-DERIVATIVE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6N5S
InChI InChI=1S/C10H6N5S/c11-6-8(7-12)10-13-15(14-16-10)9-4-2-1-3-5-9/h1-5,8H/q+1
InChIKey RWMMSURICTVCER-UHFFFAOYSA-N
Literature Reference Author W.BOCIAN,J.JAZWINSKI,L.STEFANIAK,G.A.WEBB
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1467(1994)
Solvent DMSO
Source File Reference UWSF1431