| SpectraBase Compound ID | L6QiLkxcZJR |
|---|---|
| InChI | InChI=1S/C10H9FO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3 |
| InChIKey | OSPJANZFCZYKEH-UHFFFAOYSA-N |
| Mol Weight | 212.18 g/mol |
| Molecular Formula | C10H9FO4 |
| Exact Mass | 212.048487 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DEnAwyYAjUN |
|---|---|
| Name | 2-Fluoroisophthalic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.048486929 u |
| Formula | C10H9FO4 |
| InChI | InChI=1S/C10H9FO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3 |
| InChIKey | OSPJANZFCZYKEH-UHFFFAOYSA-N |
| Molecular Weight | 212.176 g/mol |
| SMILES | C=1C(=C(C(=CC1)C(OC)=O)F)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.785563 |