| SpectraBase Compound ID | FNzkbfKt3iA |
|---|---|
| InChI | InChI=1S/C14H11ClN2S/c15-11-6-7-13-12(8-11)16-14(18)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18) |
| InChIKey | OUPMSORROMFUIY-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 | 2yMylfChTkZ |
|---|---|
| Name | 1-Benzyl-5-chloro-1H-benzimidazole-2-thiol |
| 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/c15-11-6-7-13-12(8-11)16-14(18)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18) |
| InChIKey | OUPMSORROMFUIY-UHFFFAOYSA-N |
| SMILES | C=1(S)N(C2=C(N1)C=C(C=C2)Cl)CC1=CC=CC=C1 |