| SpectraBase Compound ID | xiEiwS9CXr |
|---|---|
| InChI | InChI=1S/C8H4F4OS/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | XSQRYIDJFNEMLW-UHFFFAOYSA-N |
| Mol Weight | 224.17 g/mol |
| Molecular Formula | C8H4F4OS |
| Exact Mass | 223.991899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2E9J1yCZMID |
|---|---|
| Name | 4-Fluorothiophenol, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.991898574 u |
| Formula | C8H4F4OS |
| InChI | InChI=1S/C8H4F4OS/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | XSQRYIDJFNEMLW-UHFFFAOYSA-N |
| Molecular Weight | 224.173 g/mol |
| SMILES | C1(F)=CC=C(C=C1)SC(C(F)(F)F)=O |