| SpectraBase Compound ID | IyRyXKybcm0 |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-2-4-7(9)5-3-6-8/h2,4,6H,3,5H2,1H3/b4-2+ |
| InChIKey | CNDZNYDKTSAYDT-DUXPYHPUSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GVbZH0SENtX |
|---|---|
| Name | (E)-4-oxo-5-Hepten-1-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-2-4-7(9)5-3-6-8/h2,4,6H,3,5H2,1H3/b4-2+ |
| InChIKey | CNDZNYDKTSAYDT-DUXPYHPUSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(CCC(\C=C\C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982179 |