| SpectraBase Compound ID | FZweohy8kpQ |
|---|---|
| InChI | InChI=1S/C9H7F3OS/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | UTLCXQRJYGDYOK-UHFFFAOYSA-N |
| Mol Weight | 220.21 g/mol |
| Molecular Formula | C9H7F3OS |
| Exact Mass | 220.016971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 57ZGlQaXqP3 |
|---|---|
| Name | p-Thiocresol, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.016970507 u |
| Formula | C9H7F3OS |
| InChI | InChI=1S/C9H7F3OS/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | UTLCXQRJYGDYOK-UHFFFAOYSA-N |
| Molecular Weight | 220.209 g/mol |
| SMILES | C1(=CC=C(C=C1)C)SC(C(F)(F)F)=O |