| SpectraBase Compound ID | 7Lux9XIq3K1 |
|---|---|
| InChI | InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | TZMSMSYMMHOSOE-UHFFFAOYSA-N |
| Mol Weight | 236.29 g/mol |
| Molecular Formula | C11H12N2O2S |
| Exact Mass | 236.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OLYWqlffeT |
|---|---|
| Name | Acetic acid, 2-(1H-1,3-benzimidazol-2-ylthio)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.061948806 u |
| Formula | C11H12N2O2S |
| InChI | InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | TZMSMSYMMHOSOE-UHFFFAOYSA-N |
| Molecular Weight | 236.289 g/mol |
| SMILES | C1(=NC=2C=CC=CC2N1)SCC(OCC)=O |