| SpectraBase Compound ID | IyHYwZvmLrL |
|---|---|
| InChI | InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1 |
| InChIKey | CECREIRZLPLYDM-QGZVKYPTSA-N |
| Mol Weight | 290.5 g/mol |
| Molecular Formula | C20H34O |
| Exact Mass | 290.260966 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4ilhDwP6uyn |
|---|---|
| Name | Manool;labda-8(17),14-dien-13-beta-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.260965714 u |
| Formula | C20H34O |
| InChI | InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1 |
| InChIKey | CECREIRZLPLYDM-QGZVKYPTSA-N |
| SMILES | [C@](O)(CC[C@]1(C(CC[C@]2(C(CCC[C@]12C)(C)C)[H])=C)[H])(C=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.978099 |