![2-[(3,4-dichlorobenzyl)sulfanyl]-5-methoxy-1H-benzimidazole](/api/spectrum/1jZSs9m72Vp/structure.png?h=300&w=458 "2-[(3,4-dichlorobenzyl)sulfanyl]-5-methoxy-1H-benzimidazole")
| SpectraBase Compound ID | 2N1exmDXGjT |
|---|---|
| InChI | InChI=1S/C15H12Cl2N2OS/c1-20-10-3-5-13-14(7-10)19-15(18-13)21-8-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,19) |
| InChIKey | NXYVCCAJBLVHMO-UHFFFAOYSA-N |
| Mol Weight | 339.24 g/mol |
| Molecular Formula | C15H12Cl2N2OS |
| Exact Mass | 338.00474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jZSs9m72Vp |
|---|---|
| Name | 2-[(3,4-Dichlorobenzyl)sulfanyl]-5-methoxy-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.004739587 u |
| Formula | C15H12Cl2N2OS |
| InChI | InChI=1S/C15H12Cl2N2OS/c1-20-10-3-5-13-14(7-10)19-15(18-13)21-8-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,18,19) |
| InChIKey | NXYVCCAJBLVHMO-UHFFFAOYSA-N |
| Molecular Weight | 339.240 g/mol |
| SMILES | N1C=2C=CC(=CC2N=C1SCC1=CC(Cl)=C(C=C1)Cl)OC |