| SpectraBase Compound ID | 4hR8sDg6JPU |
|---|---|
| InChI | InChI=1S/C18H32/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h15-18H,1-14H2 |
| InChIKey | JSVILEFZXZLOES-UHFFFAOYSA-N |
| Mol Weight | 248.5 g/mol |
| Molecular Formula | C18H32 |
| Exact Mass | 248.250401 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C0RqF4M5n1d |
|---|---|
| Name | 1,1':2',1''-Tercyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.250401030 u |
| Formula | C18H32 |
| InChI | InChI=1S/C18H32/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h15-18H,1-14H2 |
| InChIKey | JSVILEFZXZLOES-UHFFFAOYSA-N |
| Molecular Weight | 248.454 g/mol |
| SMILES | C1(C(CCCC1)C1CCCCC1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978984 |