| SpectraBase Compound ID | 3a8aN88mNpq |
|---|---|
| InChI | InChI=1S/C12H20/c1-4-7-8-11-12(9-5-2)10-6-3/h5-6,11H,2-4,7-10H2,1H3 |
| InChIKey | BKKGJPQYDMWOSF-UHFFFAOYSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56kvoWyJ4FI |
|---|---|
| Name | 4-Allylnona-1,4-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-4-7-8-11-12(9-5-2)10-6-3/h5-6,11H,2-4,7-10H2,1H3 |
| InChIKey | BKKGJPQYDMWOSF-UHFFFAOYSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C(=CCCCC)(CC=C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87363 |