| SpectraBase Compound ID | D49fSmSjeUd |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h5H,2-4H2,1H3 |
| InChIKey | UCAQDIQSNVAWBD-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6pRKPuiwJMi |
|---|---|
| Name | 5-Oxohexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-6(8)4-2-3-5-7/h5H,2-4H2,1H3 |
| InChIKey | UCAQDIQSNVAWBD-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(=O)(CCCC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982693 |