| SpectraBase Spectrum ID |
3NeUtHxQW |
| Name |
rac-4-methyl-3-((3aS,5R,7S,7aS)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5- yl)benzonitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N2O |
| InChI |
InChI=1S/C20H28N2O/c1-13-7-8-15(12-21)9-16(13)20(5)10-14(2)18-17(11-20)19(3,4)23-22(18)6/h7-9,14,17-18H,10-11H2,1-6H3/t14-,17-,18-,20+/m0/s1 |
| InChIKey |
AKDBIKXYHXHEGJ-PRIDNEQBSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
312.457 g/mol |
| SMILES |
c1(c(cc(C#N)cc1)[C@]1(C[C@]2([C@@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)C |
| SPLASH |
splash10-01ta-6902000000-4cf929713a67327b9585 |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884582 |
![rac-4-methyl-3-((3aS,5R,7S,7aS)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5- yl)benzonitrile](/api/spectrum/3NeUtHxQW/structure.png?h=300&w=458 "rac-4-methyl-3-((3aS,5R,7S,7aS)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5- yl)benzonitrile")
