| SpectraBase Compound ID | BM6PTNVpPWj |
|---|---|
| InChI | InChI=1S/C12H17F2NO3/c1-16-9-5-8(3-4-15)6-10(17-2)12(9)18-7-11(13)14/h5-6,11H,3-4,7,15H2,1-2H3 |
| InChIKey | PCAYHBWBNGPKII-UHFFFAOYSA-N |
| Mol Weight | 261.27 g/mol |
| Molecular Formula | C12H17F2NO3 |
| Exact Mass | 261.11765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7YWtUcPOHVU |
|---|---|
| Name | dfe |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.117649734 u |
| Formula | C12H17F2NO3 |
| InChI | InChI=1S/C12H17F2NO3/c1-16-9-5-8(3-4-15)6-10(17-2)12(9)18-7-11(13)14/h5-6,11H,3-4,7,15H2,1-2H3 |
| InChIKey | PCAYHBWBNGPKII-UHFFFAOYSA-N |
| Molecular Weight | 261.269 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCN)OC)OCC(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819548 |