| SpectraBase Compound ID | 2eeM0mfsMlA |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7-8,10,14,17-18,21H,1,5-6,9,11-13H2,2-4H3/b8-7+,16-10+/t17-,18-,20+/m0/s1 |
| InChIKey | HWPDWZDRIFADHK-CVBRBELLSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DpMAowbRHmF |
|---|---|
| Name | (E,E)-15-Hydroxy-labda-8(17),11,13-trien-16-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7-8,10,14,17-18,21H,1,5-6,9,11-13H2,2-4H3/b8-7+,16-10+/t17-,18-,20+/m0/s1 |
| InChIKey | HWPDWZDRIFADHK-CVBRBELLSA-N |
| SMILES | [C@@]12([C@@](\C=C\C(=C/CO)C=O)(C(=C)CC[C@]2(C(C)(C)CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924988 |