| SpectraBase Compound ID | 6e3IP6v3VXM |
|---|---|
| InChI | InChI=1S/C11H6F8OS/c12-9(13,11(17,18)19)8(20)21-5-6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
| InChIKey | PRVMNTFZTRHDSQ-UHFFFAOYSA-N |
| Mol Weight | 338.22 g/mol |
| Molecular Formula | C11H6F8OS |
| Exact Mass | 338.001161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOP7E2RONko |
|---|---|
| Name | 4-Trifluoromethylbenzyl mercaptan, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.001161290 u |
| Formula | C11H6F8OS |
| InChI | InChI=1S/C11H6F8OS/c12-9(13,11(17,18)19)8(20)21-5-6-1-3-7(4-2-6)10(14,15)16/h1-4H,5H2 |
| InChIKey | PRVMNTFZTRHDSQ-UHFFFAOYSA-N |
| Molecular Weight | 338.215 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)CSC(C(C(F)(F)F)(F)F)=O |