| SpectraBase Compound ID | CGYsaiPDBAv |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-3-5-8-6(9)7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9) |
| InChIKey | KGSUEYMMVBJVSO-UHFFFAOYSA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C7H11NO3 |
| Exact Mass | 157.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EiVFqRW5f0Q |
|---|---|
| Name | Oxalic acid, monoamide, N-allyl-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.073893215 u |
| Formula | C7H11NO3 |
| InChI | InChI=1S/C7H11NO3/c1-3-5-8-6(9)7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9) |
| InChIKey | KGSUEYMMVBJVSO-UHFFFAOYSA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C=CCNC(C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965801 |