| SpectraBase Compound ID | 6c2yLMkMmBu |
|---|---|
| InChI | InChI=1S/C13H20FNO3/c1-9(15)6-11-12(16-2)7-10(18-5-4-14)8-13(11)17-3/h7-9H,4-6,15H2,1-3H3 |
| InChIKey | ZWTSZKWQJSFARQ-UHFFFAOYSA-N |
| Mol Weight | 257.31 g/mol |
| Molecular Formula | C13H20FNO3 |
| Exact Mass | 257.142722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | envjWZOiln |
|---|---|
| Name | psi-Mfem |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.142721668 u |
| Formula | C13H20FNO3 |
| InChI | InChI=1S/C13H20FNO3/c1-9(15)6-11-12(16-2)7-10(18-5-4-14)8-13(11)17-3/h7-9H,4-6,15H2,1-3H3 |
| InChIKey | ZWTSZKWQJSFARQ-UHFFFAOYSA-N |
| Molecular Weight | 257.305 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)OCCF)OC)CC(N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914202 |