| SpectraBase Compound ID | LvFen8PiOZu |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-6(9)8-5-3-4-7(10)11-2/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+ |
| InChIKey | RHEVHGNMKABEEB-ONEGZZNKSA-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 | GHpDdn24SUj |
|---|---|
| Name | 4-Acetylaminobut-2-enoic acid, methyl 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/c1-6(9)8-5-3-4-7(10)11-2/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+ |
| InChIKey | RHEVHGNMKABEEB-ONEGZZNKSA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C(=O)(\C=C\CNC(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923588 |