| SpectraBase Compound ID | 5pOZFwPuhP1 |
|---|---|
| InChI | InChI=1S/C12H16OS2/c1-12(2,3)11(13)15-10-7-5-9(14-4)6-8-10/h5-8H,1-4H3 |
| InChIKey | ZLIBKDRXJAZGCR-UHFFFAOYSA-N |
| Mol Weight | 240.38 g/mol |
| Molecular Formula | C12H16OS2 |
| Exact Mass | 240.064257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSBBc8C54s4 |
|---|---|
| Name | 4-(Methylsulfanyl)thiophenol, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.064257482 u |
| Formula | C12H16OS2 |
| InChI | InChI=1S/C12H16OS2/c1-12(2,3)11(13)15-10-7-5-9(14-4)6-8-10/h5-8H,1-4H3 |
| InChIKey | ZLIBKDRXJAZGCR-UHFFFAOYSA-N |
| Molecular Weight | 240.379 g/mol |
| SMILES | CSC1=CC=C(C=C1)SC(C(C)(C)C)=O |