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3-PHENYL-5-(CYANO-ETHOXYCARBONYLMETHYL)-1,2,3,4-THIATRIAZOLE

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3-PHENYL-5-(CYANO-ETHOXYCARBONYLMETHYL)-1,2,3,4-THIATRIAZOLE
SpectraBase Compound ID HZlT271teZg
InChI InChI=1S/C12H11N4O2S/c1-2-18-12(17)10(8-13)11-14-16(15-19-11)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/q+1
InChIKey BSAKGQGFVBJXMV-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C12H11N4O2S
Exact Mass 275.060272 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBovnnIn84k
Name 3-PHENYL-1-THIA-2,3,4-TRIAZOL-3-IUM-5-YL-METHANIDE-DERIVATIVE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N4O2S
InChI InChI=1S/C12H11N4O2S/c1-2-18-12(17)10(8-13)11-14-16(15-19-11)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3/q+1
InChIKey BSAKGQGFVBJXMV-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 UWSF1432