| SpectraBase Compound ID | DMdsUpYaISC |
|---|---|
| InChI | InChI=1S/C16H18O2SSi/c1-20(2,3)18-16(17)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12H,1-3H3 |
| InChIKey | IMOSWSJCIYYMPN-UHFFFAOYSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C16H18O2SSi |
| Exact Mass | 302.079678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pwaogTPWTe |
|---|---|
| Name | 4-(Phenylthio)benzoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.079677527 u |
| Formula | C16H18O2SSi |
| InChI | InChI=1S/C16H18O2SSi/c1-20(2,3)18-16(17)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h4-12H,1-3H3 |
| InChIKey | IMOSWSJCIYYMPN-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)SC1=CC=CC=C1)(=O)O[Si](C)(C)C |