| SpectraBase Spectrum ID |
2WDJr9oM03X |
| Name |
3,7-Dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.168521876 u |
| Formula |
C15H24N2O5 |
| InChI |
InChI=1S/C15H24N2O5/c1-5-21-12(19)14-7-16(3)9-15(11(14)18,10-17(4)8-14)13(20)22-6-2/h5-10H2,1-4H3 |
| InChIKey |
CKUKECUYDJFXEN-UHFFFAOYSA-N |
| Molecular Weight |
312.366 g/mol |
| SMILES |
C1N(CC2(CN(CC1(C2=O)C(OCC)=O)C)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.947466 |
![3,7-Dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, diethyl ester](/api/spectrum/2WDJr9oM03X/structure.png?h=300&w=458 "3,7-Dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid, diethyl ester")
