| SpectraBase Compound ID | 9gjKaNiR2bV |
|---|---|
| InChI | InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3 |
| InChIKey | GTYVZUSWKGYETP-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 | E730sVDuHPi |
|---|---|
| Name | 2 - Hydroxy - 3 - oxo - butanal |
| 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/c1-3(6)4(7)2-5/h2,4,7H,1H3 |
| InChIKey | GTYVZUSWKGYETP-UHFFFAOYSA-N |
| Molecular Weight | 102.089 g/mol |
| SMILES | C(C(C=O)O)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984331 |