| SpectraBase Compound ID | 95QjFTNn3ol |
|---|---|
| InChI | InChI=1S/C13H10BrN3S/c14-12-4-2-1-3-10(12)7-17-8-13(15-16-17)11-5-6-18-9-11/h1-6,8-9H,7H2 |
| InChIKey | BESURVXHAFRZBS-UHFFFAOYSA-N |
| Mol Weight | 320.21 g/mol |
| Molecular Formula | C13H10BrN3S |
| Exact Mass | 318.977882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9zmFqa6vHh |
|---|---|
| Name | 1-(2-Bromobenzyl)-4-(thiophen-3-yl)-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.977881508 u |
| Formula | C13H10BrN3S |
| InChI | InChI=1S/C13H10BrN3S/c14-12-4-2-1-3-10(12)7-17-8-13(15-16-17)11-5-6-18-9-11/h1-6,8-9H,7H2 |
| InChIKey | BESURVXHAFRZBS-UHFFFAOYSA-N |
| Molecular Weight | 320.208 g/mol |
| SMILES | C=1(N=NN(C1)CC=1C(Br)=CC=CC1)C1=CSC=C1 |