| SpectraBase Spectrum ID |
8DMmacQN4SD |
| Name |
8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.131408092 u |
| Formula |
C12H19NO4 |
| InChI |
InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3/t9-,10?,11+,12+/m0/s1 |
| InChIKey |
ZBNGGJNWFWYOJK-DYXFLFRNSA-N |
| Molecular Weight |
241.287 g/mol |
| SMILES |
C(O[C@]1([C@@]2(N(C)[C@](C1)(CC(C2)OC(C)=O)[H])[H])[H])(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933723 |
![8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester)](/api/spectrum/8DMmacQN4SD/structure.png?h=300&w=458 "8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester)")
