| SpectraBase Compound ID | CfF6JEUv4Je |
|---|---|
| InChI | InChI=1S/C9H6F4O2/c1-2-15-9(14)6-7(12)4(10)3-5(11)8(6)13/h3H,2H2,1H3 |
| InChIKey | FUXXXXKLNQYCRA-UHFFFAOYSA-N |
| Mol Weight | 222.14 g/mol |
| Molecular Formula | C9H6F4O2 |
| Exact Mass | 222.030392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H4KCnZXbaEN |
|---|---|
| Name | Ethyl 2,3,5,6-tetrafluorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.030392083 u |
| Formula | C9H6F4O2 |
| InChI | InChI=1S/C9H6F4O2/c1-2-15-9(14)6-7(12)4(10)3-5(11)8(6)13/h3H,2H2,1H3 |
| InChIKey | FUXXXXKLNQYCRA-UHFFFAOYSA-N |
| Molecular Weight | 222.139 g/mol |
| SMILES | C(C=1C(=C(C=C(C1F)F)F)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818766 |