| SpectraBase Compound ID | Hk46bBdAcYx |
|---|---|
| InChI | InChI=1S/C7H10O2/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+ |
| InChIKey | UINBCLLBJYJCNK-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 | ZKt1wyvTmB |
|---|---|
| Name | (E)-2-Heptenedial |
| 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/c8-6-4-2-1-3-5-7-9/h2,4,6-7H,1,3,5H2/b4-2+ |
| InChIKey | UINBCLLBJYJCNK-DUXPYHPUSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(\C=C\C=O)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811979 |