| SpectraBase Compound ID | 9RtHHGX3evt |
|---|---|
| InChI | InChI=1S/C10H7F3O4/c1-16-8(14)6-4-2-3-5-7(6)17-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | XTKKFZNCNWDIPG-UHFFFAOYSA-N |
| Mol Weight | 248.16 g/mol |
| Molecular Formula | C10H7F3O4 |
| Exact Mass | 248.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AMK6NpX6Sl |
|---|---|
| Name | Methyl salicylate, o-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.029643190 u |
| Formula | C10H7F3O4 |
| InChI | InChI=1S/C10H7F3O4/c1-16-8(14)6-4-2-3-5-7(6)17-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | XTKKFZNCNWDIPG-UHFFFAOYSA-N |
| Molecular Weight | 248.157 g/mol |
| SMILES | C1(=CC=CC=C1C(OC)=O)OC(C(F)(F)F)=O |