![[(4-Chlorobenzyl)sulfanyl]acetic acid, tms derivative](/api/spectrum/GwsnPgKAolE/structure.png?h=300&w=458 "[(4-Chlorobenzyl)sulfanyl]acetic acid, tms derivative")
| SpectraBase Compound ID | KU60bml9lj8 |
|---|---|
| InChI | InChI=1S/C12H17ClO2SSi/c1-17(2,3)15-12(14)9-16-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | JWCGEQRFVIUFDX-UHFFFAOYSA-N |
| Mol Weight | 288.86 g/mol |
| Molecular Formula | C12H17ClO2SSi |
| Exact Mass | 288.040705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwsnPgKAolE |
|---|---|
| Name | [(4-Chlorobenzyl)sulfanyl]acetic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.040705194 u |
| Formula | C12H17ClO2SSi |
| InChI | InChI=1S/C12H17ClO2SSi/c1-17(2,3)15-12(14)9-16-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | JWCGEQRFVIUFDX-UHFFFAOYSA-N |
| Molecular Weight | 288.864 g/mol |
| SMILES | C(SCC(O[Si](C)(C)C)=O)C1=CC=C(C=C1)Cl |