| SpectraBase Compound ID | CdiZ3sehPix |
|---|---|
| InChI | InChI=1S/C12H14FNO3/c1-7(14-8(2)15)3-9-4-11-12(5-10(9)13)17-6-16-11/h4-5,7H,3,6H2,1-2H3,(H,14,15) |
| InChIKey | LXEVGMAQDFMOSL-UHFFFAOYSA-N |
| Mol Weight | 239.25 g/mol |
| Molecular Formula | C12H14FNO3 |
| Exact Mass | 239.095771 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4xiyV9YhcuP |
|---|---|
| Name | 6F-mda ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.095771475 u |
| Formula | C12H14FNO3 |
| InChI | InChI=1S/C12H14FNO3/c1-7(14-8(2)15)3-9-4-11-12(5-10(9)13)17-6-16-11/h4-5,7H,3,6H2,1-2H3,(H,14,15) |
| InChIKey | LXEVGMAQDFMOSL-UHFFFAOYSA-N |
| Molecular Weight | 239.246 g/mol |
| SMILES | C1(=C(C=C2C(=C1)OCO2)F)CC(NC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969092 |