| SpectraBase Compound ID | HVzjO4bntXT |
|---|---|
| InChI | InChI=1S/C12H22/c1-5-9-11(7-3)12(8-4)10-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10- |
| InChIKey | KICBULPPWKMVQH-HWAYABPNSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BW9jAETFxye |
|---|---|
| Name | 3,5-Octadiene, 4,5-diethyl-, (Z,Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.172150708 u |
| Formula | C12H22 |
| InChI | InChI=1S/C12H22/c1-5-9-11(7-3)12(8-4)10-6-2/h9-10H,5-8H2,1-4H3/b11-9-,12-10- |
| InChIKey | KICBULPPWKMVQH-HWAYABPNSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C(\C=C/(\C(=C/CC)CC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945456 |