| SpectraBase Compound ID | GJXzpNWg4Hr |
|---|---|
| InChI | InChI=1S/C7H10O5/c1-5(8)3-6(9)12-4-7(10)11-2/h3-4H2,1-2H3 |
| InChIKey | SWZLBYJUUOSWGB-UHFFFAOYSA-N |
| Mol Weight | 174.15 g/mol |
| Molecular Formula | C7H10O5 |
| Exact Mass | 174.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L3b0caDqOWu |
|---|---|
| Name | Methyl 3-oxobutyl ethanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.052823417 u |
| Formula | C7H10O5 |
| InChI | InChI=1S/C7H10O5/c1-5(8)3-6(9)12-4-7(10)11-2/h3-4H2,1-2H3 |
| InChIKey | SWZLBYJUUOSWGB-UHFFFAOYSA-N |
| SMILES | C(CC(=O)C)(=O)OCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990816 |