| SpectraBase Compound ID | E3SoXZuoGE2 |
|---|---|
| InChI | InChI=1S/C10H7F3O4/c1-16-8(14)6-3-2-4-7(5-6)17-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | DVZQVDADQBLOIT-UHFFFAOYSA-N |
| Mol Weight | 248.16 g/mol |
| Molecular Formula | C10H7F3O4 |
| Exact Mass | 248.029643 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CqXEsTDk5aA |
|---|---|
| Name | Methyl 3-trifluoroacetyloxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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)6-3-2-4-7(5-6)17-9(15)10(11,12)13/h2-5H,1H3 |
| InChIKey | DVZQVDADQBLOIT-UHFFFAOYSA-N |
| Molecular Weight | 248.157 g/mol |
| SMILES | C1=C(C=CC=C1C(OC)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980966 |