| SpectraBase Compound ID | 48225UpUTP9 |
|---|---|
| InChI | InChI=1S/C12H24/c1-6-11(5)10-12(7-2,8-3)9-4/h5-10H2,1-4H3 |
| InChIKey | PVURYIAWVSGIKM-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4rnCh4pB7Lu |
|---|---|
| Name | 1-Hexene, 2,4,4-triethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-6-11(5)10-12(7-2,8-3)9-4/h5-10H2,1-4H3 |
| InChIKey | PVURYIAWVSGIKM-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | CCC(CC)(CC)CC(=C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922645 |