| SpectraBase Compound ID | INLkfF6fnot |
|---|---|
| InChI | InChI=1S/C12H24/c1-3-11(2)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | WWQZOWLEGAPJPX-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 | 5Hj6QFPNFmN |
|---|---|
| Name | Cyclooctane, (1-methylpropyl)- |
| 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/c1-3-11(2)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | WWQZOWLEGAPJPX-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(CC)(C)C1CCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804838 |