| SpectraBase Compound ID | 3dosiIsR7TG |
|---|---|
| InChI | InChI=1S/C12H13F3N2/c1-2-3-8-17-10-7-5-4-6-9(10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3 |
| InChIKey | XBHVXORLBUPCQJ-UHFFFAOYSA-N |
| Mol Weight | 242.25 g/mol |
| Molecular Formula | C12H13F3N2 |
| Exact Mass | 242.103083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhIVTnSFwHE |
|---|---|
| Name | 1-Butyl-2-(trifluoromethyl)-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.103082916 u |
| Formula | C12H13F3N2 |
| InChI | InChI=1S/C12H13F3N2/c1-2-3-8-17-10-7-5-4-6-9(10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3 |
| InChIKey | XBHVXORLBUPCQJ-UHFFFAOYSA-N |
| Molecular Weight | 242.245 g/mol |
| SMILES | C1(=NC=2C=CC=CC2N1CCCC)C(F)(F)F |