| SpectraBase Compound ID | KsywsjmuwWJ |
|---|---|
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | MMCDSVCBSAMNPL-CMDGGOBGSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6zIU9s198cd |
|---|---|
| Name | (E)-4-Dodecenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8+ |
| InChIKey | MMCDSVCBSAMNPL-CMDGGOBGSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(\C=C\CCC=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912975 |