| SpectraBase Compound ID | KfSmHgcH9Lh |
|---|---|
| InChI | InChI=1S/C8H7FO3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3 |
| InChIKey | AIFCAHCJHDKMPG-UHFFFAOYSA-N |
| Mol Weight | 170.14 g/mol |
| Molecular Formula | C8H7FO3 |
| Exact Mass | 170.037922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2QGUQvN1TY4 |
|---|---|
| Name | X=Co2Me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.037922245 u |
| Formula | C8H7FO3 |
| InChI | InChI=1S/C8H7FO3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3 |
| InChIKey | AIFCAHCJHDKMPG-UHFFFAOYSA-N |
| Molecular Weight | 170.139 g/mol |
| SMILES | C=1(F)C=CC(=CC1)OC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955376 |