| SpectraBase Spectrum ID |
9rZVXwIvi6Z |
| Name |
rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30N2O |
| InChI |
InChI=1S/C21H30N2O/c1-14(2)23-19-15(3)11-21(6,12-18(19)20(4,5)24-23)17-9-7-8-16(10-17)13-22/h7-10,14-15,18-19H,11-12H2,1-6H3/t15-,18+,19+,21+/m0/s1 |
| InChIKey |
SLUQASCEEZFFFS-BQBKMSKFSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
326.484 g/mol |
| SMILES |
C(N1OC([C@]2([C@]1([C@](C[C@](C2)(c1cc(ccc1)C#N)C)(C)[H])[H])[H])(C)C)(C)C |
| SPLASH |
splash10-0ik9-0609000000-5a8485d05ce6a64d00d1 |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884595 |
![rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile](/api/spectrum/9rZVXwIvi6Z/structure.png?h=300&w=458 "rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile")
