| SpectraBase Compound ID | A5YpyXPw70U |
|---|---|
| InChI | InChI=1S/C10H7F3O3S/c1-17-7-5-3-2-4-6(7)8(14)16-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | BCSVYCJEWVJMHL-UHFFFAOYSA-N |
| Mol Weight | 264.22 g/mol |
| Molecular Formula | C10H7F3O3S |
| Exact Mass | 264.0068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5c8lguHcWfv |
|---|---|
| Name | 2-(Methylthio)benzoic trifluoroacetic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.006799745 u |
| Formula | C10H7F3O3S |
| InChI | InChI=1S/C10H7F3O3S/c1-17-7-5-3-2-4-6(7)8(14)16-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | BCSVYCJEWVJMHL-UHFFFAOYSA-N |
| Molecular Weight | 264.218 g/mol |
| SMILES | C1(=CC=CC=C1C(OC(C(F)(F)F)=O)=O)SC |