| SpectraBase Compound ID | EWkr6qBEQe8 |
|---|---|
| InChI | InChI=1S/C10H7F5OS/c11-9(12,10(13,14)15)8(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | LTBWBZIXWFQYEM-UHFFFAOYSA-N |
| Mol Weight | 270.22 g/mol |
| Molecular Formula | C10H7F5OS |
| Exact Mass | 270.013777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ibl6oXyR0D4 |
|---|---|
| Name | Benzyl mercaptan, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.013776833 u |
| Formula | C10H7F5OS |
| InChI | InChI=1S/C10H7F5OS/c11-9(12,10(13,14)15)8(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | LTBWBZIXWFQYEM-UHFFFAOYSA-N |
| Molecular Weight | 270.217 g/mol |
| SMILES | C(SC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1 |