| SpectraBase Compound ID | 3D6OiXAfYyw |
|---|---|
| InChI | InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h3,5,7H,2,4H2,1H3 |
| InChIKey | RWXBAXNFTXQJAY-UHFFFAOYSA-N |
| Mol Weight | 102.13 g/mol |
| Molecular Formula | C5H10O2 |
| Exact Mass | 102.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IxSWGtHXbKb |
|---|---|
| Name | Butanal, 4-hydroxy-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.068079560 u |
| Formula | C5H10O2 |
| InChI | InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h3,5,7H,2,4H2,1H3 |
| InChIKey | RWXBAXNFTXQJAY-UHFFFAOYSA-N |
| Molecular Weight | 102.133 g/mol |
| SMILES | C(C(CO)C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98855 |