| SpectraBase Compound ID | 3v2lyRVQW1F |
|---|---|
| InChI | InChI=1S/C10H9F3O2S/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | GOLWPNRMKJDNDW-UHFFFAOYSA-N |
| Mol Weight | 250.24 g/mol |
| Molecular Formula | C10H9F3O2S |
| Exact Mass | 250.027535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bfJpmBRbfq |
|---|---|
| Name | 4-Methoxybenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.027535191 u |
| Formula | C10H9F3O2S |
| InChI | InChI=1S/C10H9F3O2S/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey | GOLWPNRMKJDNDW-UHFFFAOYSA-N |
| Molecular Weight | 250.235 g/mol |
| SMILES | C(SC(C(F)(F)F)=O)C1=CC=C(C=C1)OC |