| SpectraBase Compound ID | 6xONME9VjYI |
|---|---|
| InChI | InChI=1S/C11H12FNO3/c1-7(13-5-14)4-8-2-3-9-11(10(8)12)16-6-15-9/h2-3,5,7H,4,6H2,1H3,(H,13,14) |
| InChIKey | OKLUEACBWZBXMD-UHFFFAOYSA-N |
| Mol Weight | 225.22 g/mol |
| Molecular Formula | C11H12FNO3 |
| Exact Mass | 225.080121 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HIGK7dEk8hm |
|---|---|
| Name | 2F-mda Form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.080121410 u |
| Formula | C11H12FNO3 |
| InChI | InChI=1S/C11H12FNO3/c1-7(13-5-14)4-8-2-3-9-11(10(8)12)16-6-15-9/h2-3,5,7H,4,6H2,1H3,(H,13,14) |
| InChIKey | OKLUEACBWZBXMD-UHFFFAOYSA-N |
| Molecular Weight | 225.219 g/mol |
| SMILES | C12=C(C(CC(NC=O)C)=CC=C2OCO1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894708 |