| SpectraBase Compound ID | 44GL9XrmWK2 |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | JRPRESIGAKQCNM-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtxtqYBA0Va |
|---|---|
| Name | Benzyl mercaptan, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | JRPRESIGAKQCNM-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C(SC(C(C)(C)C)=O)C1=CC=CC=C1 |