| SpectraBase Compound ID | 68wvG8eB9IN |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-4-12-7(10)8-5(2)6(9)11-3/h2,4H2,1,3H3,(H,8,10) |
| InChIKey | AFTBNAKABPPVRM-UHFFFAOYSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4gW0bK63qjQ |
|---|---|
| Name | N-Ethoxycarbonyldehydroalanine methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.068807834 u |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-4-12-7(10)8-5(2)6(9)11-3/h2,4H2,1,3H3,(H,8,10) |
| InChIKey | AFTBNAKABPPVRM-UHFFFAOYSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | C(NC(=O)OCC)(C(=O)OC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988679 |