| SpectraBase Compound ID | 6xTC2qYDaBF |
|---|---|
| InChI | InChI=1S/C16H30/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h14-16H,2-13H2,1H3 |
| InChIKey | FZTGIATXIYRIIE-UHFFFAOYSA-N |
| Mol Weight | 222.42 g/mol |
| Molecular Formula | C16H30 |
| Exact Mass | 222.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ca1ohoccznP |
|---|---|
| Name | 1,2-Dicyclohexylbutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.234750966 u |
| Formula | C16H30 |
| InChI | InChI=1S/C16H30/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h14-16H,2-13H2,1H3 |
| InChIKey | FZTGIATXIYRIIE-UHFFFAOYSA-N |
| Molecular Weight | 222.416 g/mol |
| SMILES | C(C(CC)C1CCCCC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955817 |