| SpectraBase Compound ID | AayFKzGq1VV |
|---|---|
| InChI | InChI=1S/C12H11F3O5/c1-3-19-10(16)7-4-5-8(9(6-7)18-2)20-11(17)12(13,14)15/h4-6H,3H2,1-2H3 |
| InChIKey | PQXFRMZUWSFXQH-UHFFFAOYSA-N |
| Mol Weight | 292.21 g/mol |
| Molecular Formula | C12H11F3O5 |
| Exact Mass | 292.055858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NzPIYUVQNb |
|---|---|
| Name | Ethyl vanillate, o-(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.055857938 u |
| Formula | C12H11F3O5 |
| InChI | InChI=1S/C12H11F3O5/c1-3-19-10(16)7-4-5-8(9(6-7)18-2)20-11(17)12(13,14)15/h4-6H,3H2,1-2H3 |
| InChIKey | PQXFRMZUWSFXQH-UHFFFAOYSA-N |
| Molecular Weight | 292.210 g/mol |
| SMILES | C1=C(OC(C(F)(F)F)=O)C(=CC(=C1)C(OCC)=O)OC |