| SpectraBase Compound ID | AgENXlmZETM |
|---|---|
| InChI | InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) |
| InChIKey | UIUJIQZEACWQSV-UHFFFAOYSA-N |
| Mol Weight | 102.09 g/mol |
| Molecular Formula | C4H6O3 |
| Exact Mass | 102.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1xCWBPVvOa3 |
|---|---|
| Name | Succinate semialdehyde, 1tms, 1meox |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.031694050 u |
| Formula | C4H6O3 |
| InChI | InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7) |
| InChIKey | UIUJIQZEACWQSV-UHFFFAOYSA-N |
| Molecular Weight | 102.089 g/mol |
| Nominal Mass | 102 u |
| SMILES | C(CC(=O)O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973424 |