| SpectraBase Compound ID | 4kdOVXGnpzF |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3 |
| InChIKey | BQHDXNZNSPVVKB-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8s7KEnXFKne |
|---|---|
| Name | Propanedioic acid, 2-methylene-, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3 |
| InChIKey | BQHDXNZNSPVVKB-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | CCOC(=O)C(=C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985911 |