| SpectraBase Spectrum ID |
3aya6ep0Z9c |
| Name |
rac-3-methyl-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5-yl)benzonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N2O |
| InChI |
InChI=1S/C20H28N2O/c1-13-9-15(12-21)7-8-16(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 |
IVEPUDRKXZEACA-LMVHDODDSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
312.457 g/mol |
| SMILES |
[C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1C)C#N |
| SPLASH |
splash10-0h09-6911000000-8f46ad59773826c255d8 |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884410 |
![rac-3-methyl-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5-yl)benzonitrile](/api/spectrum/3aya6ep0Z9c/structure.png?h=300&w=458 "rac-3-methyl-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5-yl)benzonitrile")
