| SpectraBase Compound ID | 7q0XTA3p0DG |
|---|---|
| InChI | InChI=1S/C11H9F3O5/c1-17-8-5-6(9(15)18-2)3-4-7(8)19-10(16)11(12,13)14/h3-5H,1-2H3 |
| InChIKey | VGMLVIHAWAVJOZ-UHFFFAOYSA-N |
| Mol Weight | 278.18 g/mol |
| Molecular Formula | C11H9F3O5 |
| Exact Mass | 278.040208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yoxtTYoma9 |
|---|---|
| Name | Methyl vanillate, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.040207874 u |
| Formula | C11H9F3O5 |
| InChI | InChI=1S/C11H9F3O5/c1-17-8-5-6(9(15)18-2)3-4-7(8)19-10(16)11(12,13)14/h3-5H,1-2H3 |
| InChIKey | VGMLVIHAWAVJOZ-UHFFFAOYSA-N |
| Molecular Weight | 278.183 g/mol |
| SMILES | C(C1=CC(OC)=C(C=C1)OC(C(F)(F)F)=O)(=O)OC |