| SpectraBase Compound ID | 6X9Aq4DkyRa |
|---|---|
| InChI | InChI=1S/C21H28F3NO2/c1-3-10-18(16-11-6-4-7-12-16)27-19(17-13-8-5-9-14-17)15(2)25-20(26)21(22,23)24/h3,5,8-9,13-16,18-19H,1,4,6-7,10-12H2,2H3,(H,25,26)/t15-,18+,19+/m1/s1 |
| InChIKey | LBPBWTFEQSLUFW-MNEFBYGVSA-N |
| Mol Weight | 383.46 g/mol |
| Molecular Formula | C21H28F3NO2 |
| Exact Mass | 383.207214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hpvMqgkj0d |
|---|---|
| Name | (4S,1'R,2'R)-4-Cyclohexyl-4-(2'-trifluoroacetylamido-1'-phenylpropyloxy)but-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.207213633 u |
| Formula | C21H28F3NO2 |
| InChI | InChI=1S/C21H28F3NO2/c1-3-10-18(16-11-6-4-7-12-16)27-19(17-13-8-5-9-14-17)15(2)25-20(26)21(22,23)24/h3,5,8-9,13-16,18-19H,1,4,6-7,10-12H2,2H3,(H,25,26)/t15-,18+,19+/m1/s1 |
| InChIKey | LBPBWTFEQSLUFW-MNEFBYGVSA-N |
| Molecular Weight | 383.455 g/mol |
| SMILES | C(C(N[C@@]([C@](O[C@](C1CCCCC1)(CC=C)[H])(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |