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3-PHENYL-5-DI-(ETHOXYCARBONYL)-METHYL-1,2,3,4-THIATRIAZOLE

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3-PHENYL-5-DI-(ETHOXYCARBONYL)-METHYL-1,2,3,4-THIATRIAZOLE
SpectraBase Compound ID G0BNqEHxK8Q
InChI InChI=1S/C14H16N3O4S/c1-3-20-13(18)11(14(19)21-4-2)12-15-17(16-22-12)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3/q+1
InChIKey XTPTWHRABPFJEE-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C14H16N3O4S
Exact Mass 322.086152 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CLi7dq1Ul
Name 3-PHENYL-1-THIA-2,3,4-TRIAZOL-3-IUM-5-YL-METHANIDE-DERIVATIVE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N3O4S
InChI InChI=1S/C14H16N3O4S/c1-3-20-13(18)11(14(19)21-4-2)12-15-17(16-22-12)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3/q+1
InChIKey XTPTWHRABPFJEE-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 UWSF1433