| SpectraBase Compound ID | CbhixO3F8Fe |
|---|---|
| InChI | InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/b8-7+ |
| InChIKey | DPFRBPJIKDMNCN-BQYQJAHWSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPUq9PXrUXF |
|---|---|
| Name | 2,2,4-Trimethyl-3-hexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/b8-7+ |
| InChIKey | DPFRBPJIKDMNCN-BQYQJAHWSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | CC\C(C)=C\C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928311 |