| SpectraBase Compound ID | 62I7wvZqFdR |
|---|---|
| InChI | InChI=1S/C16H18O2SSi/c1-20(2,3)18-16(17)14-11-7-8-12-15(14)19-13-9-5-4-6-10-13/h4-12H,1-3H3 |
| InChIKey | HLIHDXXVYNCPAX-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 | LY7R3Uq01In |
|---|---|
| Name | 2-(Phenylsulfanyl)benzoic acid, tms |
| 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)14-11-7-8-12-15(14)19-13-9-5-4-6-10-13/h4-12H,1-3H3 |
| InChIKey | HLIHDXXVYNCPAX-UHFFFAOYSA-N |
| SMILES | C1(SC2=CC=CC=C2)=C(C=CC=C1)C(=O)O[Si](C)(C)C |