| SpectraBase Compound ID | EJpdGAkBKZc |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-14-6-9-18-19(2,3)10-5-11-20(18,4)16(14)8-7-15(12-21)17(23)13-22/h7,12,16-18,22-23H,1,5-6,8-11,13H2,2-4H3/b15-7-/t16-,17?,18-,20+/m0/s1 |
| InChIKey | YKUBJKXDFHYMRG-ZMUAHZHUSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DeWID44xlc |
|---|---|
| Name | 14.eta.,15-Dihydroxy-labda-8(17),12-dien-16-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-14-6-9-18-19(2,3)10-5-11-20(18,4)16(14)8-7-15(12-21)17(23)13-22/h7,12,16-18,22-23H,1,5-6,8-11,13H2,2-4H3/b15-7-/t16-,17?,18-,20+/m0/s1 |
| InChIKey | YKUBJKXDFHYMRG-ZMUAHZHUSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | [C@@]12([C@](C(=C)CC[C@]2(C(C)(C)CCC1)[H])(C\C=C\(C=O)C(O)CO)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919629 |