| SpectraBase Compound ID | BRq7yfN0xvI |
|---|---|
| InChI | InChI=1S/C9H12O/c1-3-5-6-9(4-2)7-8-10/h3,8H,1-2,5-7H2 |
| InChIKey | NVPKNGNMBRADEC-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2US1dfdsTss |
|---|---|
| Name | 3-(but-3'-Enyl)penta-3,4-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-3-5-6-9(4-2)7-8-10/h3,8H,1-2,5-7H2 |
| InChIKey | NVPKNGNMBRADEC-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C(=C=C)(CC=O)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91715 |