| SpectraBase Compound ID | 1e9erjyI9nA |
|---|---|
| InChI | InChI=1S/C9H12O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | PPGJXXBYSGZKDK-AATRIKPKSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C9H12O5 |
| Exact Mass | 200.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F9LrwWzv2yH |
|---|---|
| Name | Ethyl (E)-4-oxopent-2-enedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.068473481 u |
| Formula | C9H12O5 |
| InChI | InChI=1S/C9H12O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | PPGJXXBYSGZKDK-AATRIKPKSA-N |
| Molecular Weight | 200.190 g/mol |
| SMILES | C(C(\C=C\C(=O)OCC)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910144 |