| SpectraBase Compound ID | BRgimmrxZVG |
|---|---|
| InChI | InChI=1S/C13H9FO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h1-9H |
| InChIKey | DIDWZIWYRUFMSZ-UHFFFAOYSA-N |
| Mol Weight | 216.21 g/mol |
| Molecular Formula | C13H9FO2 |
| Exact Mass | 216.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2mVkT7vYhKe |
|---|---|
| Name | 3-Fluorobenzoic acid, phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.058657691 u |
| Formula | C13H9FO2 |
| InChI | InChI=1S/C13H9FO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h1-9H |
| InChIKey | DIDWZIWYRUFMSZ-UHFFFAOYSA-N |
| Molecular Weight | 216.211 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC1=CC=CC=C1)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943476 |