| SpectraBase Compound ID | 24GDqjSa4tf |
|---|---|
| InChI | InChI=1S/C11H9F3O4/c1-2-17-9-5-7(6-15)3-4-8(9)18-10(16)11(12,13)14/h3-6H,2H2,1H3 |
| InChIKey | MWAODSGPOOTXPG-UHFFFAOYSA-N |
| Mol Weight | 262.18 g/mol |
| Molecular Formula | C11H9F3O4 |
| Exact Mass | 262.045293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMEpp7m61k2 |
|---|---|
| Name | Ethylvanillin, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.045293255 u |
| Formula | C11H9F3O4 |
| InChI | InChI=1S/C11H9F3O4/c1-2-17-9-5-7(6-15)3-4-8(9)18-10(16)11(12,13)14/h3-6H,2H2,1H3 |
| InChIKey | MWAODSGPOOTXPG-UHFFFAOYSA-N |
| Molecular Weight | 262.184 g/mol |
| SMILES | C(OC1=CC(C=O)=CC=C1OC(C(F)(F)F)=O)C |