| SpectraBase Compound ID | CaR9muikSb5 |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-4-12-8(11)7(6(2)3)9-5-10/h5H,4H2,1-3H3,(H,9,10) |
| InChIKey | VUDPAQQJIFPIMG-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LF3SoXYQ1gh |
|---|---|
| Name | 2-Butenoic acid, 2-(formylamino)-3-methyl-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-4-12-8(11)7(6(2)3)9-5-10/h5H,4H2,1-3H3,(H,9,10) |
| InChIKey | VUDPAQQJIFPIMG-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C(=O)NC(=C(C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8785 |