| SpectraBase Compound ID | 4fQDsSvN4ZK |
|---|---|
| InChI | InChI=1S/C20H32O/c1-15(2)20(21)14-13-19(5)12-11-17(4)8-6-7-16(3)9-10-18(19)20/h7,11,18,21H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m0/s1 |
| InChIKey | NUHPZDOCKJPIPC-REDNKFHQSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C20H32O |
| Exact Mass | 288.245316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56nrmCe9VHh |
|---|---|
| Name | iso-Edunol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.245315649 u |
| Formula | C20H32O |
| InChI | InChI=1S/C20H32O/c1-15(2)20(21)14-13-19(5)12-11-17(4)8-6-7-16(3)9-10-18(19)20/h7,11,18,21H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m0/s1 |
| InChIKey | NUHPZDOCKJPIPC-REDNKFHQSA-N |
| Molecular Weight | 288.475 g/mol |
| SMILES | [C@]1([C@@]2([C@@](C\C=C\(CC\C=C\(CC2)C)C)(C)CC1)[H])(C(=C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944152 |