| SpectraBase Spectrum ID |
Lo4cIF9rUoH |
| Name |
rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,7-trimethyloctahydrobenzo[c]isoxazol-5-yl)-4-Methoxybenzonitrile |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30N2O2 |
| InChI |
InChI=1S/C21H30N2O2/c1-13(2)23-20-14(3)9-16(11-18(20)21(4,5)25-23)17-10-15(12-22)7-8-19(17)24-6/h7-8,10,13-14,16,18,20H,9,11H2,1-6H3/t14-,16+,18+,20+/m0/s1 |
| InChIKey |
HBHUSEMRNVLTBA-JYJIFUJCSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
342.483 g/mol |
| SMILES |
C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1c(ccc(c1)C#N)OC)[H])[H])[H])C(C)C)(C)C |
| SPLASH |
splash10-004i-0907000000-0c8271be578175d4a3dc |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884439 |
![rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,7-trimethyloctahydrobenzo[c]isoxazol-5-yl)-4-Methoxybenzonitrile](/api/spectrum/Lo4cIF9rUoH/structure.png?h=300&w=458 "rac-3-((3aR,5R,7S,7aR)-1-isopropyl-3,3,7-trimethyloctahydrobenzo[c]isoxazol-5-yl)-4-Methoxybenzonitrile")
