| SpectraBase Compound ID | F5STaqH6Yib |
|---|---|
| InChI | InChI=1S/C16H13ClN2OS/c1-11(20)19-15-5-3-2-4-14(15)18-16(19)21-10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3 |
| InChIKey | KKHAQEQKUZTRFE-UHFFFAOYSA-N |
| Mol Weight | 316.81 g/mol |
| Molecular Formula | C16H13ClN2OS |
| Exact Mass | 316.043712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fg9lr1BSclC |
|---|---|
| Name | 1H-Benzimidazol-2-yl 4-chlorobenzyl sulfide, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.043711920 u |
| Formula | C16H13ClN2OS |
| InChI | InChI=1S/C16H13ClN2OS/c1-11(20)19-15-5-3-2-4-14(15)18-16(19)21-10-12-6-8-13(17)9-7-12/h2-9H,10H2,1H3 |
| InChIKey | KKHAQEQKUZTRFE-UHFFFAOYSA-N |
| Molecular Weight | 316.806 g/mol |
| SMILES | C(SC=1N(C2=C(N1)C=CC=C2)C(=O)C)C1=CC=C(C=C1)Cl |