| SpectraBase Compound ID | GXofcMOAc9b |
|---|---|
| InChI | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,12H,2-4,7-11H2,1H3/b6-5+ |
| InChIKey | HTUHYXDEKCWDCI-AATRIKPKSA-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 | Kv86EgQpFbU |
|---|---|
| Name | (E)-7-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/h5-6,12H,2-4,7-11H2,1H3/b6-5+ |
| InChIKey | HTUHYXDEKCWDCI-AATRIKPKSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C(\C=C\CCCCCC=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932454 |