| SpectraBase Compound ID | 31WgQAZb0f |
|---|---|
| InChI | InChI=1S/C12H18FNO3/c1-15-11-7-9(17-6-4-13)8-12(16-2)10(11)3-5-14/h7-8H,3-6,14H2,1-2H3 |
| InChIKey | WGLJFOJNFHJPLN-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C12H18FNO3 |
| Exact Mass | 243.127072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AdSLi7dRbaQ |
|---|---|
| Name | psi-2C-o-21 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.127071604 u |
| Formula | C12H18FNO3 |
| InChI | InChI=1S/C12H18FNO3/c1-15-11-7-9(17-6-4-13)8-12(16-2)10(11)3-5-14/h7-8H,3-6,14H2,1-2H3 |
| InChIKey | WGLJFOJNFHJPLN-UHFFFAOYSA-N |
| Molecular Weight | 243.278 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)OCCF)OC)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845928 |