| SpectraBase Compound ID | 7FayDQ2AqSp |
|---|---|
| InChI | InChI=1S/C13H26/c1-9-10(2)11(12(3,4)5)13(6,7)8/h9H2,1-8H3 |
| InChIKey | CPBPNERREUBYJN-UHFFFAOYSA-N |
| Mol Weight | 182.35 g/mol |
| Molecular Formula | C13H26 |
| Exact Mass | 182.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AJxSHG1vChA |
|---|---|
| Name | 3-Hexene, 3-(1,1-dimethylethyl)-2,2,4-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.203450837 u |
| Formula | C13H26 |
| InChI | InChI=1S/C13H26/c1-9-10(2)11(12(3,4)5)13(6,7)8/h9H2,1-8H3 |
| InChIKey | CPBPNERREUBYJN-UHFFFAOYSA-N |
| Molecular Weight | 182.351 g/mol |
| SMILES | C(=C(CC)C)(C(C)(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972596 |