| SpectraBase Compound ID | 3Eg7SCVtLPc |
|---|---|
| InChI | InChI=1S/C13H18OS/c1-10-5-7-11(8-6-10)9-15-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | VCZWIMIIZWYLCB-UHFFFAOYSA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C13H18OS |
| Exact Mass | 222.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIybys0KY9R |
|---|---|
| Name | 4-Methylbenzyl mercaptan, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.107836373 u |
| Formula | C13H18OS |
| InChI | InChI=1S/C13H18OS/c1-10-5-7-11(8-6-10)9-15-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | VCZWIMIIZWYLCB-UHFFFAOYSA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | C(SC(C(C)(C)C)=O)C1=CC=C(C=C1)C |