| SpectraBase Compound ID | HStMFWpdHh |
|---|---|
| InChI | InChI=1S/C19H24F3NO2/c1-4-6-13-16(10-5-2)25-17(15-11-8-7-9-12-15)14(3)23-18(24)19(20,21)22/h4-5,7-9,11-12,14,16-17H,1-2,6,10,13H2,3H3,(H,23,24)/t14-,16+,17+/m0/s1 |
| InChIKey | ACMBRRRSXTWSPB-USXIJHARSA-N |
| Mol Weight | 355.4 g/mol |
| Molecular Formula | C19H24F3NO2 |
| Exact Mass | 355.175914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jWJX73738O |
|---|---|
| Name | (4S,1'S,2'S)-4-(2'-Trifluoroacetylamido-1'-phenylpropyloxy)octa-1,7-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.175913504 u |
| Formula | C19H24F3NO2 |
| InChI | InChI=1S/C19H24F3NO2/c1-4-6-13-16(10-5-2)25-17(15-11-8-7-9-12-15)14(3)23-18(24)19(20,21)22/h4-5,7-9,11-12,14,16-17H,1-2,6,10,13H2,3H3,(H,23,24)/t14-,16+,17+/m0/s1 |
| InChIKey | ACMBRRRSXTWSPB-USXIJHARSA-N |
| Molecular Weight | 355.401 g/mol |
| SMILES | C(C(N[C@]([C@@](O[C@](CC=C)(CCC=C)[H])(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |