| SpectraBase Compound ID | 87VBTECx6IQ |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,18,21H,6-8,10H2,1-5H3/t18-,20+/m0/s1 |
| InChIKey | BGVCOQAMEPLESK-AZUAARDMSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3q30EQ1bzHE |
|---|---|
| Name | 6-Oxoferruginol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-12(2)14-9-13-10-17(22)18-19(3,4)7-6-8-20(18,5)15(13)11-16(14)21/h9,11-12,18,21H,6-8,10H2,1-5H3/t18-,20+/m0/s1 |
| InChIKey | BGVCOQAMEPLESK-AZUAARDMSA-N |
| SMILES | C1(=O)[C@]2(C(CCC[C@@]2(C2=C(C1)C=C(C(=C2)O)C(C)C)C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910448 |