| SpectraBase Compound ID | KYqUfpUHsE7 |
|---|---|
| InChI | InChI=1S/C19H21ClN2/c1-2-3-4-13-19-21-17-11-7-8-12-18(17)22(19)14-15-9-5-6-10-16(15)20/h5-12H,2-4,13-14H2,1H3 |
| InChIKey | LJGWKGPGIXWXFX-UHFFFAOYSA-N |
| Mol Weight | 312.84 g/mol |
| Molecular Formula | C19H21ClN2 |
| Exact Mass | 312.139326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FWYUs6zrK6 |
|---|---|
| Name | 1-(2-Chlorobenzyl)-2-pentyl-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.139326384 u |
| Formula | C19H21ClN2 |
| InChI | InChI=1S/C19H21ClN2/c1-2-3-4-13-19-21-17-11-7-8-12-18(17)22(19)14-15-9-5-6-10-16(15)20/h5-12H,2-4,13-14H2,1H3 |
| InChIKey | LJGWKGPGIXWXFX-UHFFFAOYSA-N |
| Molecular Weight | 312.844 g/mol |
| SMILES | C1=CC=C(CN2C(=NC3=C2C=CC=C3)CCCCC)C(Cl)=C1 |