| SpectraBase Spectrum ID |
5z2bfREw8SA |
| Name |
rac-3-chloro-5-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25ClN2O |
| InChI |
InChI=1S/C19H25ClN2O/c1-12-9-19(4,14-6-13(11-21)7-15(20)8-14)10-16-17(12)22(5)23-18(16,2)3/h6-8,12,16-17H,9-10H2,1-5H3/t12-,16+,17+,19+/m0/s1 |
| InChIKey |
ZRAAODCCEKUGGK-ZHCSWWCTSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
332.875 g/mol |
| SMILES |
c1(cc(cc(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)Cl)C#N |
| SPLASH |
splash10-005i-7943000000-290e2b975366e4ea79d0 |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884393 |
![rac-3-chloro-5-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile](/api/spectrum/5z2bfREw8SA/structure.png?h=300&w=458 "rac-3-chloro-5-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile")
