| SpectraBase Compound ID | KHgEISIT8OH |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-17(2)15-22(24)16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-25-21(6)23/h9,12-13,15H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+ |
| InChIKey | XLRINIVOESDDOA-QGBQGRNXSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bpj2bcUDPqg |
|---|---|
| Name | Eleganolone acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.250794952 u |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-17(2)15-22(24)16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-25-21(6)23/h9,12-13,15H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+ |
| InChIKey | XLRINIVOESDDOA-QGBQGRNXSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | C(\C=C\(CC\C=C\(CC\C=C\(CC(C=C(C)C)=O)C)C)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80809 |