![Methyl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate](/api/spectrum/7NCtCwuxbpU/structure.png?h=300&w=458 "Methyl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate")
| SpectraBase Compound ID | AuJS4SUEYDE |
|---|---|
| InChI | InChI=1S/C11H12N2O3S/c1-15-7-3-4-8-9(5-7)13-11(12-8)17-6-10(14)16-2/h3-5H,6H2,1-2H3,(H,12,13) |
| InChIKey | CFXGPYDEKJSHHL-UHFFFAOYSA-N |
| Mol Weight | 252.29 g/mol |
| Molecular Formula | C11H12N2O3S |
| Exact Mass | 252.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NCtCwuxbpU |
|---|---|
| Name | Methyl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.056863425 u |
| Formula | C11H12N2O3S |
| InChI | InChI=1S/C11H12N2O3S/c1-15-7-3-4-8-9(5-7)13-11(12-8)17-6-10(14)16-2/h3-5H,6H2,1-2H3,(H,12,13) |
| InChIKey | CFXGPYDEKJSHHL-UHFFFAOYSA-N |
| Molecular Weight | 252.288 g/mol |
| SMILES | C(SC=1NC2=C(N1)C=C(C=C2)OC)C(=O)OC |