| SpectraBase Compound ID | 4IlTMx3w5Pv |
|---|---|
| InChI | InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3 |
| InChIKey | KEHNRUNQZGRQHU-UHFFFAOYSA-N |
| Mol Weight | 100.12 g/mol |
| Molecular Formula | C5H8O2 |
| Exact Mass | 100.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KN6ioqhmq3B |
|---|---|
| Name | Pentanal, 4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.052429496 u |
| Formula | C5H8O2 |
| InChI | InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3 |
| InChIKey | KEHNRUNQZGRQHU-UHFFFAOYSA-N |
| Molecular Weight | 100.117 g/mol |
| SMILES | C(CCC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955035 |