| SpectraBase Spectrum ID |
EzDJyXb9KOO |
| Name |
(-)-(1S,2S,5R)-2-methyl-5-isopropyl-6-azabicyclo[3.2.1]octane-3,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.125928789 u |
| Formula |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-6(2)11-4-8(10(14)12-11)7(3)9(13)5-11/h6-8H,4-5H2,1-3H3,(H,12,14)/t7-,8-,11+/m0/s1 |
| InChIKey |
QWNNDKKKZRNDCN-DKCNOQQISA-N |
| Molecular Weight |
195.262 g/mol |
| SMILES |
[C@@]12(NC(=O)[C@](C2)([H])[C@@](C(C1)=O)(C)[H])C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971131 |
![(-)-(1S,2S,5R)-2-methyl-5-isopropyl-6-azabicyclo[3.2.1]octane-3,7-dione](/api/spectrum/EzDJyXb9KOO/structure.png?h=300&w=458 "(-)-(1S,2S,5R)-2-methyl-5-isopropyl-6-azabicyclo[3.2.1]octane-3,7-dione")
