| SpectraBase Compound ID | NF1BLzCfef |
|---|---|
| InChI | InChI=1S/C9H6FIO3/c1-5(12)14-9(13)6-3-2-4-7(10)8(6)11/h2-4H,1H3 |
| InChIKey | KUJQYJWLEIDITA-UHFFFAOYSA-N |
| Mol Weight | 308.05 g/mol |
| Molecular Formula | C9H6FIO3 |
| Exact Mass | 307.934567 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FFDtrLgWxJx |
|---|---|
| Name | 3-Fluoro-2-iodobenzoic acid, o-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.934567213 u |
| Formula | C9H6FIO3 |
| InChI | InChI=1S/C9H6FIO3/c1-5(12)14-9(13)6-3-2-4-7(10)8(6)11/h2-4H,1H3 |
| InChIKey | KUJQYJWLEIDITA-UHFFFAOYSA-N |
| Molecular Weight | 308.047 g/mol |
| SMILES | C1(I)=C(C=CC=C1C(=O)OC(C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925271 |