| SpectraBase Spectrum ID |
FpZ3QJvvaBm |
| Name |
(+-)-dimethyl 2,3-dihydro-1H-pyrrole-2,4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
185.068807834 u |
| Formula |
C8H11NO4 |
| InChI |
InChI=1S/C8H11NO4/c1-12-7(10)5-3-6(9-4-5)8(11)13-2/h4,6,9H,3H2,1-2H3 |
| InChIKey |
KFKLYBTWJQARHU-UHFFFAOYSA-N |
| Molecular Weight |
185.179 g/mol |
| SMILES |
C1(=CNC(C1)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96337 |
