| SpectraBase Spectrum ID |
ByRiWYLhIBS |
| Name |
(1S*,5R*,9S*)-2-Benzyl-9-isopropyl-2-azabicyclo[3.3.1]nonan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.193614428 u |
| Formula |
C18H25NO |
| InChI |
InChI=1S/C18H25NO/c1-13(2)18-15-8-9-19(17(18)11-16(20)10-15)12-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3/t15-,17+,18+/m1/s1 |
| InChIKey |
XAWGCNHSGFCWDH-NJAFHUGGSA-N |
| Molecular Weight |
271.404 g/mol |
| SMILES |
[C@]12(N(CC3=CC=CC=C3)CC[C@]([C@@]1(C(C)C)[H])([H])CC(C2)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801252 |
![(1S*,5R*,9S*)-2-benzyl-9-isopropyl-2-azabicyclo[3.3.1]nonan-7-one](/api/spectrum/ByRiWYLhIBS/structure.png?h=300&w=458 "(1S*,5R*,9S*)-2-benzyl-9-isopropyl-2-azabicyclo[3.3.1]nonan-7-one")
