| SpectraBase Compound ID | IBNLZcCoJ4I |
|---|---|
| InChI | InChI=1S/C13H8ClN3O/c14-10-6-2-1-5-9(10)13(18)17-12-8-4-3-7-11(12)15-16-17/h1-8H |
| InChIKey | YFGVKPQRAANIMK-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C13H8ClN3O |
| Exact Mass | 257.03559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eca00KdbwBI |
|---|---|
| Name | 1H-1,2,3-Benzotriazole-1-yl(2-chlorophenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.035589589 u |
| Formula | C13H8ClN3O |
| InChI | InChI=1S/C13H8ClN3O/c14-10-6-2-1-5-9(10)13(18)17-12-8-4-3-7-11(12)15-16-17/h1-8H |
| InChIKey | YFGVKPQRAANIMK-UHFFFAOYSA-N |
| SMILES | C=12N=NN(C2=CC=CC1)C(C=1C(Cl)=CC=CC1)=O |