| SpectraBase Compound ID | 2ZbCDUYKdb9 |
|---|---|
| InChI | InChI=1S/C11H14OS2/c1-8(2)11(12)14-10-6-4-9(13-3)5-7-10/h4-8H,1-3H3 |
| InChIKey | QDQZKHQXOGFTCG-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C11H14OS2 |
| Exact Mass | 226.048607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NlYUlkUpun |
|---|---|
| Name | 4-(Methylsulfanyl)thiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.048607418 u |
| Formula | C11H14OS2 |
| InChI | InChI=1S/C11H14OS2/c1-8(2)11(12)14-10-6-4-9(13-3)5-7-10/h4-8H,1-3H3 |
| InChIKey | QDQZKHQXOGFTCG-UHFFFAOYSA-N |
| Molecular Weight | 226.352 g/mol |
| SMILES | CSC1=CC=C(C=C1)SC(C(C)C)=O |