| SpectraBase Spectrum ID |
IAtNR8MbkaI |
| Name |
Pyrrolo[1,2-C]pyrimidine-4,6-dicarboxylic acid, 1,2,4A,5-tetrahydro-3,7-dimethyl-1-oxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.137221747 u |
| Formula |
C15H20N2O5 |
| InChI |
InChI=1S/C15H20N2O5/c1-5-21-13(18)10-7-11-12(14(19)22-6-2)8(3)16-15(20)17(11)9(10)4/h11H,5-7H2,1-4H3,(H,16,20) |
| InChIKey |
SEBGMULXWBDQDO-UHFFFAOYSA-N |
| Molecular Weight |
308.334 g/mol |
| SMILES |
C1(N2C(C(=C(N1)C)C(=O)OCC)CC(=C2C)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9087 |
![Pyrrolo[1,2-c]pyrimidine-4,6-dicarboxylic acid, 1,2,4a,5-tetrahydro-3,7-dimethyl-1-oxo-, diethyl ester](/api/spectrum/IAtNR8MbkaI/structure.png?h=300&w=458 "Pyrrolo[1,2-c]pyrimidine-4,6-dicarboxylic acid, 1,2,4a,5-tetrahydro-3,7-dimethyl-1-oxo-, diethyl ester")
