| SpectraBase Compound ID | 7FVpy7KBHCw |
|---|---|
| InChI | InChI=1S/C10H9F3OS/c1-7-2-4-8(5-3-7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | FDXJTSBRRPPBLF-UHFFFAOYSA-N |
| Mol Weight | 234.24 g/mol |
| Molecular Formula | C10H9F3OS |
| Exact Mass | 234.032621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVEyG7VVbBs |
|---|---|
| Name | 4-Methylbenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.032620572 u |
| Formula | C10H9F3OS |
| InChI | InChI=1S/C10H9F3OS/c1-7-2-4-8(5-3-7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | FDXJTSBRRPPBLF-UHFFFAOYSA-N |
| Molecular Weight | 234.236 g/mol |
| SMILES | C(SC(C(F)(F)F)=O)C1=CC=C(C=C1)C |