| SpectraBase Compound ID | H2kQ8LP54Vc |
|---|---|
| InChI | InChI=1S/C20H38O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h13,15-19,21H,6-12,14H2,1-5H3/b15-13-/t17?,18?,19-,20?/m1/s1 |
| InChIKey | ILEJVWWFBLMMFV-HOBMAOPFSA-N |
| Mol Weight | 294.5 g/mol |
| Molecular Formula | C20H38O |
| Exact Mass | 294.292266 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XlTbLJtSu6 |
|---|---|
| Name | Hexahydrothunbergol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.292265843 u |
| Formula | C20H38O |
| InChI | InChI=1S/C20H38O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h13,15-19,21H,6-12,14H2,1-5H3/b15-13-/t17?,18?,19-,20?/m1/s1 |
| InChIKey | ILEJVWWFBLMMFV-HOBMAOPFSA-N |
| SMILES | C1(\C=C/[C@@](CCC(CCCC(CCC1)C)C)(C(C)C)[H])(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935449 |