![Benzyl [(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate](/api/spectrum/5aLlmUIX6OP/structure.png?h=300&w=458 "Benzyl [(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate")
| SpectraBase Compound ID | I5Hy23rix1g |
|---|---|
| InChI | InChI=1S/C16H12ClNO2S2/c17-12-6-7-14-13(8-12)18-16(22-14)21-10-15(19)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2 |
| InChIKey | IPRPSOFAINYPRI-UHFFFAOYSA-N |
| Mol Weight | 349.85 g/mol |
| Molecular Formula | C16H12ClNO2S2 |
| Exact Mass | 348.999799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aLlmUIX6OP |
|---|---|
| Name | Benzyl [(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.999798676 u |
| Formula | C16H12ClNO2S2 |
| InChI | InChI=1S/C16H12ClNO2S2/c17-12-6-7-14-13(8-12)18-16(22-14)21-10-15(19)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2 |
| InChIKey | IPRPSOFAINYPRI-UHFFFAOYSA-N |
| Molecular Weight | 349.850 g/mol |
| SMILES | C1(=NC=2C=C(Cl)C=CC2S1)SCC(=O)OCC1=CC=CC=C1 |