| SpectraBase Compound ID | DXqIBQ1a5fV |
|---|---|
| InChI | InChI=1S/C16H30/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-14H2 |
| InChIKey | UWSSRUCETFDRMI-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 | GxRpIS86rps |
|---|---|
| Name | Cyclohexane, 1,1'-(1,4-butanediyl)bis- |
| 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/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-14H2 |
| InChIKey | UWSSRUCETFDRMI-UHFFFAOYSA-N |
| Molecular Weight | 222.416 g/mol |
| SMILES | C(CC1CCCCC1)CCC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94806 |