(4aR,8aS)-2-[4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
Compound with spectra: 1 NMR
![(4aR,8aS)-2-[4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine](/api/compound/9ZcCDw33PjO.png?ph=true&h=300&w=458 "(4aR,8aS)-2-[4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine")
| SpectraBase Compound ID | 9ZcCDw33PjO |
|---|---|
| InChI | InChI=1S/C15H18F3NO/c16-15(17,18)12-7-5-10(6-8-12)14-19-9-11-3-1-2-4-13(11)20-14/h5-8,11,13-14,19H,1-4,9H2/t11-,13+,14?/m1/s1 |
| InChIKey | BTMUMMQSASCEBR-LXKBMQFRSA-N |
| Mol Weight | 285.31 g/mol |
| Molecular Formula | C15H18F3NO |
| Exact Mass | 285.134049 g/mol |
| Enantiomer InChIKey | BTMUMMQSASCEBR-MKDGSZCOSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3;0.2M |
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile
(2S,4aR,8aR)-2-(4-methoxyphenyl)octahydro-2H-benzo[e][1,3]oxazine
ZNBFZHUKNABNAV-JEIKQXNFSA-N
(2R,4aR,8aS)-2-(4-methoxyphenyl)octahydro-2H-benzo[e][1,3]oxazine
N,N-dimethyl-4-((2S,4aR,8aR)-octahydro-2H-benzo[e][1,3]oxazin-2-yl)aniline
PESJCLGYEBEJGT-YISXUXMPSA-N
N,N-dimethyl-4-((2R,4aR,8aS)-octahydro-2H-benzo[e][1,3]oxazin-2-yl)aniline
SSRVXHRFRJNYSX-LXKBMQFRSA-N
trans-2-(4-Nitro-phenyl)-5,6-tetramethylene-perhydro-1,3-oxazine
cis-2-(4-Nitro-phenyl)-5,6-tetramethylene-perhydro-1,3-oxazine
| Title | Journal or Book | Year |
|---|---|---|
| Substituent Influences on the Stability of the Ring and Chain Tautomers in 1,3-O,N-Heterocyclic Systems: Characterization by 13C NMR Chemical Shifts, PM3 Charge Densities, and Isodesmic Reactions | The Journal of Organic Chemistry | 2001 |