![[(4-Methylbenzyl)thio]acetic acid, tms](/api/spectrum/3Lqr2E1H8ox/structure.png?h=300&w=458 "[(4-Methylbenzyl)thio]acetic acid, tms")
| SpectraBase Compound ID | ylCXpG6ifq |
|---|---|
| InChI | InChI=1S/C13H20O2SSi/c1-11-5-7-12(8-6-11)9-16-10-13(14)15-17(2,3)4/h5-8H,9-10H2,1-4H3 |
| InChIKey | MZRZEUYFWCYRJJ-UHFFFAOYSA-N |
| Mol Weight | 268.45 g/mol |
| Molecular Formula | C13H20O2SSi |
| Exact Mass | 268.095328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Lqr2E1H8ox |
|---|---|
| Name | [(4-Methylbenzyl)thio]acetic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.095327591 u |
| Formula | C13H20O2SSi |
| InChI | InChI=1S/C13H20O2SSi/c1-11-5-7-12(8-6-11)9-16-10-13(14)15-17(2,3)4/h5-8H,9-10H2,1-4H3 |
| InChIKey | MZRZEUYFWCYRJJ-UHFFFAOYSA-N |
| Molecular Weight | 268.446 g/mol |
| SMILES | C[Si](OC(CSCC=1C=CC(C)=CC1)=O)(C)C |