| SpectraBase Compound ID | Bsh729KWl5Q |
|---|---|
| InChI | InChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2 |
| InChIKey | CQGHTYOKYHAPCM-UHFFFAOYSA-N |
| Mol Weight | 218.38 g/mol |
| Molecular Formula | C16H26 |
| Exact Mass | 218.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8GL8eY1RqPd |
|---|---|
| Name | 1-Cyclohexyladamantane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.203450837 u |
| Formula | C16H26 |
| InChI | InChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2 |
| InChIKey | CQGHTYOKYHAPCM-UHFFFAOYSA-N |
| Molecular Weight | 218.384 g/mol |
| SMILES | C1CCC(CC1)C12CC3CC(C2)CC(C3)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940109 |