| SpectraBase Compound ID | IM1Vly3Urmr |
|---|---|
| InChI | InChI=1S/C13H14F5NO/c14-12(15,13(16,17)18)11(20)19-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,19,20) |
| InChIKey | FAHRIJMFUCCZPB-UHFFFAOYSA-N |
| Mol Weight | 295.25 g/mol |
| Molecular Formula | C13H14F5NO |
| Exact Mass | 295.099555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Od8IFH65ez |
|---|---|
| Name | 4-Phenylbutylamine, pentafluoropropionyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.099554889 u |
| Formula | C13H14F5NO |
| InChI | InChI=1S/C13H14F5NO/c14-12(15,13(16,17)18)11(20)19-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,19,20) |
| InChIKey | FAHRIJMFUCCZPB-UHFFFAOYSA-N |
| Molecular Weight | 295.253 g/mol |
| SMILES | C1=CC=C(C=C1)CCCCNC(=O)C(F)(F)C(F)(F)F |