| SpectraBase Compound ID | IAKZ6G5CtXy |
|---|---|
| InChI | InChI=1S/C17H13N3O2S/c1-12(21)15(16(22)13-8-4-2-5-9-13)17-18-20(19-23-17)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey | DBNWQJXEAILMGD-UHFFFAOYSA-N |
| Mol Weight | 323.37 g/mol |
| Molecular Formula | C17H13N3O2S |
| Exact Mass | 323.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEhHGVPfMvA |
|---|---|
| Name | 3-PHENYL-1,2,3,4-THIATRIAZOL-3-IUM-5-YL-(ACETYL)-BENZOYL-METHANIDE |
| Compound Number | 7 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C17H13N3O2S/c1-12(21)15(16(22)13-8-4-2-5-9-13)17-18-20(19-23-17)14-10-6-3-7-11-14/h2-11H,1H3 |
| InChIKey | DBNWQJXEAILMGD-UHFFFAOYSA-N |
| Literature Reference | W.BOCIAN,J.JAZWINSKI,L.STEFANIAK,G.A.WEBB J.CHEM.SOC.PERKIN-2,1467(1994) |
| Solvent | Chloroform-d |