| SpectraBase Compound ID | KnxwS64S2o1 |
|---|---|
| InChI | InChI=1S/C8H12N2O4/c1-8(4-3-5(11)14-2)6(12)9-7(13)10-8/h3-4H2,1-2H3,(H2,9,10,12,13) |
| InChIKey | OLWNVBMSDUOWKM-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C8H12N2O4 |
| Exact Mass | 200.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5KlijpSXg2d |
|---|---|
| Name | 4-Imidazolidinepropanoic acid, 4-methyl-2,5-dioxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.079706870 u |
| Formula | C8H12N2O4 |
| InChI | InChI=1S/C8H12N2O4/c1-8(4-3-5(11)14-2)6(12)9-7(13)10-8/h3-4H2,1-2H3,(H2,9,10,12,13) |
| InChIKey | OLWNVBMSDUOWKM-UHFFFAOYSA-N |
| SMILES | C1(NC(NC1=O)=O)(CCC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985402 |