| SpectraBase Compound ID | CmhJplyUJmv |
|---|---|
| InChI | InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | IRKYBYIUHWZQGP-UHFFFAOYSA-N |
| Mol Weight | 196.38 g/mol |
| Molecular Formula | C14H28 |
| Exact Mass | 196.219101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaKW5B9QFZE |
|---|---|
| Name | Octane, 2-cyclohexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.219100902 u |
| Formula | C14H28 |
| InChI | InChI=1S/C14H28/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | IRKYBYIUHWZQGP-UHFFFAOYSA-N |
| Molecular Weight | 196.378 g/mol |
| SMILES | C(C(C)C1CCCCC1)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899025 |