| SpectraBase Compound ID | F9AEKhgMf |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-7-9-12(13)10-11(6-3)8-5-2/h4-6,11H,1-3,7-10H2 |
| InChIKey | AGNDVYMFTVLAFE-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Lcy6bhNoyt |
|---|---|
| Name | 3-Allyl-1,8-nonadiene-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-4-7-9-12(13)10-11(6-3)8-5-2/h4-6,11H,1-3,7-10H2 |
| InChIKey | AGNDVYMFTVLAFE-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(=O)(CC(C=C)CC=C)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950447 |