| SpectraBase Compound ID | 1PGDfj502E7 |
|---|---|
| InChI | InChI=1S/C11H18/c1-6-8-9-11(5,7-2)10(3)4/h6-10H,1-2H2,3-5H3/b9-8+ |
| InChIKey | OJWPNSYJKGRLNE-CMDGGOBGSA-N |
| Mol Weight | 150.26 g/mol |
| Molecular Formula | C11H18 |
| Exact Mass | 150.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 609CoerL8as |
|---|---|
| Name | 5-Methyl-5-(1'-methylethyl)-1,3,6-heptatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.140850580 u |
| Formula | C11H18 |
| InChI | InChI=1S/C11H18/c1-6-8-9-11(5,7-2)10(3)4/h6-10H,1-2H2,3-5H3/b9-8+ |
| InChIKey | OJWPNSYJKGRLNE-CMDGGOBGSA-N |
| Molecular Weight | 150.265 g/mol |
| SMILES | C(\C=C\C=C)(C=C)(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92056 |