| SpectraBase Compound ID | AQdpkjDcFS7 |
|---|---|
| InChI | InChI=1S/C10H6F6OS/c11-9(12,13)7-3-1-6(2-4-7)5-18-8(17)10(14,15)16/h1-4H,5H2 |
| InChIKey | AGBYPDZZSJLBBS-UHFFFAOYSA-N |
| Mol Weight | 288.21 g/mol |
| Molecular Formula | C10H6F6OS |
| Exact Mass | 288.004355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8huayYSTNhW |
|---|---|
| Name | 4-Trifluoromethylbenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.004354964 u |
| Formula | C10H6F6OS |
| InChI | InChI=1S/C10H6F6OS/c11-9(12,13)7-3-1-6(2-4-7)5-18-8(17)10(14,15)16/h1-4H,5H2 |
| InChIKey | AGBYPDZZSJLBBS-UHFFFAOYSA-N |
| Molecular Weight | 288.207 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)CSC(C(F)(F)F)=O |