SpectraBase Compound ID | 5VKSuuKLj2e |
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InChI | InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6,8,10H,1,5,7,9,11-12H2,2H3/b6-4-,10-8+ |
InChIKey | VRMRHGHPQGXKDT-YUFRWXHNSA-N |
Mol Weight | 164.29 g/mol |
Molecular Formula | C12H20 |
Exact Mass | 164.156501 g/mol |
SpectraBase Spectrum ID | AeZC6lbntge |
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Name | 1,E-8,Z-10-Dodecatriene |
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/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6,8,10H,1,5,7,9,11-12H2,2H3/b6-4-,10-8+ |
InChIKey | VRMRHGHPQGXKDT-YUFRWXHNSA-N |
Molecular Weight | 164.292 g/mol |
SMILES | C\C=C/C=C/CCCCCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819465 |