| SpectraBase Compound ID | Ll3TVy8LLsq |
|---|---|
| InChI | InChI=1S/C13H14F5NO2/c1-21-10-6-4-9(5-7-10)3-2-8-19-11(20)12(14,15)13(16,17)18/h4-7H,2-3,8H2,1H3,(H,19,20) |
| InChIKey | OFPJPPIEDPLYGH-UHFFFAOYSA-N |
| Mol Weight | 311.25 g/mol |
| Molecular Formula | C13H14F5NO2 |
| Exact Mass | 311.09447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDUTPXQSqE5 |
|---|---|
| Name | 3-(4-Methoxyphenyl)propylamine, N-pentafluoropropionyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.094469508 u |
| Formula | C13H14F5NO2 |
| InChI | InChI=1S/C13H14F5NO2/c1-21-10-6-4-9(5-7-10)3-2-8-19-11(20)12(14,15)13(16,17)18/h4-7H,2-3,8H2,1H3,(H,19,20) |
| InChIKey | OFPJPPIEDPLYGH-UHFFFAOYSA-N |
| Molecular Weight | 311.252 g/mol |
| SMILES | C1(=CC=C(C=C1)CCCNC(=O)C(F)(F)C(F)(F)F)OC |