| SpectraBase Compound ID | 8NX6RkRBlAY |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-4-11-7(9)5(2)6(8)10-3/h2,4H2,1,3H3 |
| InChIKey | ROEJTVNKSSSJHI-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JbhrjQkAh2T |
|---|---|
| Name | Propanedioic acid, 2-methylene-, ethyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-4-11-7(9)5(2)6(8)10-3/h2,4H2,1,3H3 |
| InChIKey | ROEJTVNKSSSJHI-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(=C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984519 |