![1H-1,2,3-Benzotriazole, 5,6-dimethyl-1-[(E)-2-phenylethenyl]-](/api/spectrum/6yldbUyv01g/structure.png?h=300&w=458 "1H-1,2,3-Benzotriazole, 5,6-dimethyl-1-[(E)-2-phenylethenyl]-")
| SpectraBase Compound ID | D1CIgaAsO4v |
|---|---|
| InChI | InChI=1S/C16H15N3/c1-12-10-15-16(11-13(12)2)18-19(17-15)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+ |
| InChIKey | XTQAFZFWVVJEBV-CMDGGOBGSA-N |
| Mol Weight | 249.32 g/mol |
| Molecular Formula | C16H15N3 |
| Exact Mass | 249.126597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yldbUyv01g |
|---|---|
| Name | 1H-1,2,3-Benzotriazole, 5,6-dimethyl-1-[(E)-2-phenylethenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.126597495 u |
| Formula | C16H15N3 |
| InChI | InChI=1S/C16H15N3/c1-12-10-15-16(11-13(12)2)18-19(17-15)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+ |
| InChIKey | XTQAFZFWVVJEBV-CMDGGOBGSA-N |
| Molecular Weight | 249.317 g/mol |
| SMILES | C1=C(C(=CC=2C1=NN(N2)\C=C\C1=CC=CC=C1)C)C |