![1-[(2E)-3-(2-thienyl)-2-propenoyl]-1H-1,2,3-benzotriazole](/api/spectrum/60Pk3bniqOG/structure.png?h=300&w=458 "1-[(2E)-3-(2-thienyl)-2-propenoyl]-1H-1,2,3-benzotriazole")
| SpectraBase Compound ID | 6SyYILl85mG |
|---|---|
| InChI | InChI=1S/C13H9N3OS/c17-13(8-7-10-4-3-9-18-10)16-12-6-2-1-5-11(12)14-15-16/h1-9H/b8-7+ |
| InChIKey | ARJROQMJQMSQNA-BQYQJAHWSA-N |
| Mol Weight | 255.29 g/mol |
| Molecular Formula | C13H9N3OS |
| Exact Mass | 255.046633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60Pk3bniqOG |
|---|---|
| Name | 1-[(2E)-3-(2-Thienyl)-2-propenoyl]-1H-1,2,3-benzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.046633095 u |
| Formula | C13H9N3OS |
| InChI | InChI=1S/C13H9N3OS/c17-13(8-7-10-4-3-9-18-10)16-12-6-2-1-5-11(12)14-15-16/h1-9H/b8-7+ |
| InChIKey | ARJROQMJQMSQNA-BQYQJAHWSA-N |
| Molecular Weight | 255.295 g/mol |
| SMILES | C=1C=CC=2N(N=NC2C1)C(\C=C\C=1SC=CC1)=O |