| SpectraBase Compound ID | 57JT1CV8jM8 |
|---|---|
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2/b4-3- |
| InChIKey | QQGSJQOOBIWRBK-ARJAWSKDSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9wDaSyAXrlC |
|---|---|
| Name | (9Z)-Dodeca-9,11-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2/b4-3- |
| InChIKey | QQGSJQOOBIWRBK-ARJAWSKDSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(\C=C/CCCCCCCC=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900612 |