| SpectraBase Compound ID | 3ZxpgMCyOUR |
|---|---|
| InChI | InChI=1S/C7H11NO5/c1-12-6(10)3-5(8-4-9)7(11)13-2/h4-5H,3H2,1-2H3,(H,8,9) |
| InChIKey | LDHWRRAXFUAITF-UHFFFAOYSA-N |
| Mol Weight | 189.17 g/mol |
| Molecular Formula | C7H11NO5 |
| Exact Mass | 189.063722 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5F62eFfS3sw |
|---|---|
| Name | (-Formyl-asparaginic acid dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.063722453 u |
| Formula | C7H11NO5 |
| InChI | InChI=1S/C7H11NO5/c1-12-6(10)3-5(8-4-9)7(11)13-2/h4-5H,3H2,1-2H3,(H,8,9) |
| InChIKey | LDHWRRAXFUAITF-UHFFFAOYSA-N |
| Molecular Weight | 189.167 g/mol |
| SMILES | C(C(=O)OC)C(C(=O)OC)NC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975613 |