| SpectraBase Compound ID | 4srZhWXmevl |
|---|---|
| InChI | InChI=1S/C13H8F2O2/c14-10-6-7-12(11(15)8-10)17-13(16)9-4-2-1-3-5-9/h1-8H |
| InChIKey | OWMGSFCKQHVCNK-UHFFFAOYSA-N |
| Mol Weight | 234.2 g/mol |
| Molecular Formula | C13H8F2O2 |
| Exact Mass | 234.049236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ISRzZYsvoYN |
|---|---|
| Name | 2,4-Difluorophenyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.049235822 u |
| Formula | C13H8F2O2 |
| InChI | InChI=1S/C13H8F2O2/c14-10-6-7-12(11(15)8-10)17-13(16)9-4-2-1-3-5-9/h1-8H |
| InChIKey | OWMGSFCKQHVCNK-UHFFFAOYSA-N |
| Molecular Weight | 234.202 g/mol |
| SMILES | C1(F)=CC(=C(C=C1)OC(C1=CC=CC=C1)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914576 |