| SpectraBase Compound ID | GTMqlqp26O1 |
|---|---|
| InChI | InChI=1S/C13H19F2NO3/c1-8(16)4-9-5-11(18-3)12(6-10(9)17-2)19-7-13(14)15/h5-6,8,13H,4,7,16H2,1-3H3 |
| InChIKey | AXKORAKXKXDBAF-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C13H19F2NO3 |
| Exact Mass | 275.1333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33yxYfADqGr |
|---|---|
| Name | Mdfem |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.133299799 u |
| Formula | C13H19F2NO3 |
| InChI | InChI=1S/C13H19F2NO3/c1-8(16)4-9-5-11(18-3)12(6-10(9)17-2)19-7-13(14)15/h5-6,8,13H,4,7,16H2,1-3H3 |
| InChIKey | AXKORAKXKXDBAF-UHFFFAOYSA-N |
| Molecular Weight | 275.296 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)CC(N)C)OC)OCC(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884739 |