| SpectraBase Compound ID | 6XVgK4hbaZo |
|---|---|
| InChI | InChI=1S/C9H6F4OS/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | NBPSHLAQAFVJQY-UHFFFAOYSA-N |
| Mol Weight | 238.2 g/mol |
| Molecular Formula | C9H6F4OS |
| Exact Mass | 238.007549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ywj0S838G7 |
|---|---|
| Name | 4-Fluorobenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.007548638 u |
| Formula | C9H6F4OS |
| InChI | InChI=1S/C9H6F4OS/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | NBPSHLAQAFVJQY-UHFFFAOYSA-N |
| Molecular Weight | 238.200 g/mol |
| SMILES | C1(F)=CC=C(C=C1)CSC(C(F)(F)F)=O |