| SpectraBase Compound ID | CqE9jUYBCEL |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-15(7-5-9-16(2)21(24)25)8-6-11-22(4)12-10-18-14-19(23)13-17(3)20(18)26-22/h8-9,13-14,23H,5-7,10-12H2,1-4H3,(H,24,25)/b15-8+,16-9- |
| InChIKey | YBTAYKPEYLOHDQ-MICXRRPDSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPA3AHXWLUc |
|---|---|
| Name | Polycerasoidol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-15(7-5-9-16(2)21(24)25)8-6-11-22(4)12-10-18-14-19(23)13-17(3)20(18)26-22/h8-9,13-14,23H,5-7,10-12H2,1-4H3,(H,24,25)/b15-8+,16-9- |
| InChIKey | YBTAYKPEYLOHDQ-MICXRRPDSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1=2OC(CC\C=C\(CC\C=C/(C(=O)O)C)C)(C)CCC2C=C(C=C1C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811566 |