| SpectraBase Compound ID | 2h4XacgOkny |
|---|---|
| InChI | InChI=1S/C10H10F2O2/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3 |
| InChIKey | QWGBEMVJWAYAKK-UHFFFAOYSA-N |
| Mol Weight | 200.18 g/mol |
| Molecular Formula | C10H10F2O2 |
| Exact Mass | 200.064886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7vrug0nF2wa |
|---|---|
| Name | 3,4-Difluorobenzoic acid, isopropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.064885886 u |
| Formula | C10H10F2O2 |
| InChI | InChI=1S/C10H10F2O2/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3 |
| InChIKey | QWGBEMVJWAYAKK-UHFFFAOYSA-N |
| Molecular Weight | 200.185 g/mol |
| SMILES | C1=C(C=C(C(=C1)F)F)C(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933644 |