![2,2,2-trifluoro-N-[(1R,2R)-2-[(1R)-1-hexylbut-3-enoxy]-1-methyl-2-phenyl-ethyl]acetamide](/api/spectrum/OZ915huwRl/structure.png?h=300&w=458 "2,2,2-trifluoro-N-[(1R,2R)-2-[(1R)-1-hexylbut-3-enoxy]-1-methyl-2-phenyl-ethyl]acetamide")
| SpectraBase Compound ID | 6G1MbpnEFeM |
|---|---|
| InChI | InChI=1S/C21H30F3NO2/c1-4-6-7-11-15-18(12-5-2)27-19(17-13-9-8-10-14-17)16(3)25-20(26)21(22,23)24/h5,8-10,13-14,16,18-19H,2,4,6-7,11-12,15H2,1,3H3,(H,25,26)/t16-,18+,19+/m1/s1 |
| InChIKey | XSSNNGBPGXTXJT-NEWSRXKRSA-N |
| Mol Weight | 385.47 g/mol |
| Molecular Formula | C21H30F3NO2 |
| Exact Mass | 385.222864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OZ915huwRl |
|---|---|
| Name | 2,2,2-Trifluoro-N-[(1R,2R)-2-[(1R)-1-hexylbut-3-enoxy]-1-methyl-2-phenyl-ethyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.222863697 u |
| Formula | C21H30F3NO2 |
| InChI | InChI=1S/C21H30F3NO2/c1-4-6-7-11-15-18(12-5-2)27-19(17-13-9-8-10-14-17)16(3)25-20(26)21(22,23)24/h5,8-10,13-14,16,18-19H,2,4,6-7,11-12,15H2,1,3H3,(H,25,26)/t16-,18+,19+/m1/s1 |
| InChIKey | XSSNNGBPGXTXJT-NEWSRXKRSA-N |
| Molecular Weight | 385.471 g/mol |
| SMILES | C(C(N[C@@]([C@](O[C@@](CC=C)(CCCCCC)[H])(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |