| SpectraBase Compound ID | Jkm2tCgX1AL |
|---|---|
| InChI | InChI=1S/C17H22F3NO2/c1-4-9-14(5-2)23-15(13-10-7-6-8-11-13)12(3)21-16(22)17(18,19)20/h4,6-8,10-12,14-15H,1,5,9H2,2-3H3,(H,21,22)/t12-,14-,15+/m1/s1 |
| InChIKey | PQJKWIONBRIRKK-YUELXQCFSA-N |
| Mol Weight | 329.36 g/mol |
| Molecular Formula | C17H22F3NO2 |
| Exact Mass | 329.160263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3vaUOMbvoKE |
|---|---|
| Name | (4R,1'R,2'R)-4-(2'-Trifluoroacetylamido-1'-phenylpropoxy)hex-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.160263439 u |
| Formula | C17H22F3NO2 |
| InChI | InChI=1S/C17H22F3NO2/c1-4-9-14(5-2)23-15(13-10-7-6-8-11-13)12(3)21-16(22)17(18,19)20/h4,6-8,10-12,14-15H,1,5,9H2,2-3H3,(H,21,22)/t12-,14-,15+/m1/s1 |
| InChIKey | PQJKWIONBRIRKK-YUELXQCFSA-N |
| Molecular Weight | 329.363 g/mol |
| SMILES | C(C(N[C@@]([C@](O[C@@](CC=C)(CC)[H])(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |