| SpectraBase Compound ID | EwVpavMvC1B |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-15(10-13-21)8-11-20(4)17(14-22)9-12-19(3)16(2)6-5-7-18(19)20/h6,10,13,17-18,22H,5,7-9,11-12,14H2,1-4H3/b15-10+/t17-,18-,19-,20-/m0/s1 |
| InChIKey | UKTMDPQNAINTJT-DBHWQBRNSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EVJYo38cQFE |
|---|---|
| Name | 17-Hydroxy-3,13E-clerodadien-15-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-15(10-13-21)8-11-20(4)17(14-22)9-12-19(3)16(2)6-5-7-18(19)20/h6,10,13,17-18,22H,5,7-9,11-12,14H2,1-4H3/b15-10+/t17-,18-,19-,20-/m0/s1 |
| InChIKey | UKTMDPQNAINTJT-DBHWQBRNSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C(=O)\C=C\(CC[C@]1([C@@](CC[C@]2(C(=CCC[C@]12[H])C)C)(CO)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942244 |