![1-Hexylbicyclo[2.2.2]octane](/api/spectrum/2TAWQlkNFZU/structure.png?h=300&w=458 "1-Hexylbicyclo[2.2.2]octane")
| SpectraBase Compound ID | 4yGguTAcgJt |
|---|---|
| InChI | InChI=1S/C14H26/c1-2-3-4-5-9-14-10-6-13(7-11-14)8-12-14/h13H,2-12H2,1H3 |
| InChIKey | LCECTUGRSXQDHT-UHFFFAOYSA-N |
| Mol Weight | 194.36 g/mol |
| Molecular Formula | C14H26 |
| Exact Mass | 194.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2TAWQlkNFZU |
|---|---|
| Name | 1-Hexylbicyclo[2.2.2]octane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.203450837 u |
| Formula | C14H26 |
| InChI | InChI=1S/C14H26/c1-2-3-4-5-9-14-10-6-13(7-11-14)8-12-14/h13H,2-12H2,1H3 |
| InChIKey | LCECTUGRSXQDHT-UHFFFAOYSA-N |
| Molecular Weight | 194.362 g/mol |
| SMILES | C12CCC(CC2)(CC1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82091 |