| SpectraBase Compound ID | LDyghKkNexs |
|---|---|
| InChI | InChI=1S/C9H9FO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3 |
| InChIKey | GRWBDUGTSMVZOH-UHFFFAOYSA-N |
| Mol Weight | 184.17 g/mol |
| Molecular Formula | C9H9FO3 |
| Exact Mass | 184.053572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2uSGWpHpY1I |
|---|---|
| Name | Benzoic acid, 2-fluoro-3-methoxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.053572310 u |
| Formula | C9H9FO3 |
| InChI | InChI=1S/C9H9FO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3 |
| InChIKey | GRWBDUGTSMVZOH-UHFFFAOYSA-N |
| Molecular Weight | 184.166 g/mol |
| SMILES | C1=C(C(=C(C=C1)OC)F)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840135 |