4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile
Compound with spectra: 1 NMR
![4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile](/api/compound/5AG4GiwkWm.png?ph=true&h=300&w=458 "4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-2-yl]benzonitrile")
| SpectraBase Compound ID | 5AG4GiwkWm |
|---|---|
| InChI | InChI=1S/C15H18N2O/c16-9-11-5-7-12(8-6-11)15-17-10-13-3-1-2-4-14(13)18-15/h5-8,13-15,17H,1-4,10H2/t13-,14+,15?/m1/s1 |
| InChIKey | CVORWLFZJIYMJW-GNXJLENFSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C15H18N2O |
| Exact Mass | 242.141913 g/mol |
| Enantiomer InChIKey | CVORWLFZJIYMJW-SNTRVMSOSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3;0.2M |
IUHSNRMKWXXUHH-GNXJLENFSA-N
(2R,4aR,8aS)-2-p-tolyloctahydro-2H-benzo[e][1,3]oxazine
ZFOOKUKSLXPSFI-LXKBMQFRSA-N
(2S,4aR,8aR)-2-(4-chlorophenyl)octahydro-2H-benzo[e][1,3]oxazine
(4aR,8aS)-2-(4-fluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
(2R,4aR,8aS)-2-(4-methoxyphenyl)octahydro-2H-benzo[e][1,3]oxazine
ZNBFZHUKNABNAV-JEIKQXNFSA-N
(2S,4aR,8aR)-2-(4-methoxyphenyl)octahydro-2H-benzo[e][1,3]oxazine
SSRVXHRFRJNYSX-LXKBMQFRSA-N
CIS-2-(PARA-TOLYL)-5-HYDROXY-CIS-6-[N-(PARA-TOLYL)-AMINOMETHYL]-1,3-OXAZANE
| 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 |