| SpectraBase Compound ID | LW62jhjFLkt |
|---|---|
| InChI | InChI=1S/C10H9FO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7H,1,6H2 |
| InChIKey | GZOGSNZOFXYZPA-UHFFFAOYSA-N |
| Mol Weight | 180.18 g/mol |
| Molecular Formula | C10H9FO2 |
| Exact Mass | 180.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5405GRat9el |
|---|---|
| Name | 3-Fluorobenzoic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.058657691 u |
| Formula | C10H9FO2 |
| InChI | InChI=1S/C10H9FO2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h2-5,7H,1,6H2 |
| InChIKey | GZOGSNZOFXYZPA-UHFFFAOYSA-N |
| Molecular Weight | 180.178 g/mol |
| SMILES | C=CCOC(=O)C=1C=CC=C(F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960666 |