SpectraBase Compound ID | GHh6DHyOcdH |
---|---|
InChI | InChI=1S/C12H22/c1-7-9(3)11(5)12(6)10(4)8-2/h7,11H,8H2,1-6H3/b9-7+,12-10+ |
InChIKey | CZGJNYJFOCCNSF-LKJUMTHSSA-N |
Mol Weight | 166.31 g/mol |
Molecular Formula | C12H22 |
Exact Mass | 166.172151 g/mol |
SpectraBase Spectrum ID | IDqWlWIrFGU |
---|---|
Name | 2,5-Octadiene, 3,4,5,6-tetramethyl- |
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/c1-7-9(3)11(5)12(6)10(4)8-2/h7,11H,8H2,1-6H3/b9-7+,12-10+ |
InChIKey | CZGJNYJFOCCNSF-LKJUMTHSSA-N |
Molecular Weight | 166.308 g/mol |
SMILES | C\C(=C/C)C(\C(C)=C\(CC)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975547 |