![Trispiro[5.2.2.5.2.2]heneicosane](/api/spectrum/5lsebm6TqbF/structure.png?h=300&w=458 "Trispiro[5.2.2.5.2.2]heneicosane")
| SpectraBase Compound ID | 81fxzSQSC4q |
|---|---|
| InChI | InChI=1S/C21H36/c1-3-7-19(8-4-1)11-15-21(16-12-19)17-13-20(14-18-21)9-5-2-6-10-20/h1-18H2 |
| InChIKey | JLXMSJBCCKSOOI-UHFFFAOYSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C21H36 |
| Exact Mass | 288.281701 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5lsebm6TqbF |
|---|---|
| Name | Trispiro[5.2.2.5.2.2]heneicosane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.281701159 u |
| Formula | C21H36 |
| InChI | InChI=1S/C21H36/c1-3-7-19(8-4-1)11-15-21(16-12-19)17-13-20(14-18-21)9-5-2-6-10-20/h1-18H2 |
| InChIKey | JLXMSJBCCKSOOI-UHFFFAOYSA-N |
| SMILES | C1CCC2(CCC3(CCC4(CCCCC4)CC3)CC2)CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.98209 |