| SpectraBase Compound ID | FFrE9qBdQ2i |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | ZUKJDPRXSIFYCI-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 | ItSqQ70By0G |
|---|---|
| Name | 4-Methylbenzyl mercaptan, S-(2-methylpropionyl)- |
| 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/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | ZUKJDPRXSIFYCI-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C(SC(C(C)C)=O)C1=CC=C(C=C1)C |