![2-[[(3-chlorophenyl)methyl]thio]-1H-benzimidazole](/api/spectrum/Hn0qjLy4yS1/structure.png?h=300&w=458 "2-[[(3-chlorophenyl)methyl]thio]-1H-benzimidazole")
| SpectraBase Compound ID | JdGMpWVpZYX |
|---|---|
| InChI | InChI=1S/C14H11ClN2S/c15-11-5-3-4-10(8-11)9-18-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9H2,(H,16,17) |
| InChIKey | PRLPTTOTMHNCPP-UHFFFAOYSA-N |
| Mol Weight | 274.77 g/mol |
| Molecular Formula | C14H11ClN2S |
| Exact Mass | 274.033147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hn0qjLy4yS1 |
|---|---|
| Name | 2-[[(3-chlorophenyl)methyl]thio]-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.033147236 u |
| Formula | C14H11ClN2S |
| InChI | InChI=1S/C14H11ClN2S/c15-11-5-3-4-10(8-11)9-18-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9H2,(H,16,17) |
| InChIKey | PRLPTTOTMHNCPP-UHFFFAOYSA-N |
| SMILES | C(SC=1NC2=C(N1)C=CC=C2)C1=CC(=CC=C1)Cl |