| SpectraBase Compound ID | 9nPfNonrlcI |
|---|---|
| InChI | InChI=1S/C12H22/c1-7-9-11(3,4)12(5,6)10-8-2/h7-10H,1-6H3/b9-7+,10-8+ |
| InChIKey | MSVLDOVSYNMTSP-FIFLTTCUSA-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 | 1DSMCwCOD0f |
|---|---|
| Name | 2,6-Octadiene, 4,4,5,5-tetramethyl-, (E,E)- |
| 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/c1-7-9-11(3,4)12(5,6)10-8-2/h7-10H,1-6H3/b9-7+,10-8+ |
| InChIKey | MSVLDOVSYNMTSP-FIFLTTCUSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C(C(\C=C\C)(C)C)(\C=C\C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973509 |