| SpectraBase Compound ID | Ch3t9deyoWJ |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-16(11-15-21)8-6-13-20(5,22)14-10-18-17(2)9-7-12-19(18,3)4/h6,11,13,18,21-22H,2,7-10,12,14-15H2,1,3-5H3/b13-6+,16-11+/t18-,20?/m1/s1 |
| InChIKey | IFYHZMXZXXZREG-IOFZHQIMSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9RGpUum5Aru |
|---|---|
| Name | Trixagodiol A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-16(11-15-21)8-6-13-20(5,22)14-10-18-17(2)9-7-12-19(18,3)4/h6,11,13,18,21-22H,2,7-10,12,14-15H2,1,3-5H3/b13-6+,16-11+/t18-,20?/m1/s1 |
| InChIKey | IFYHZMXZXXZREG-IOFZHQIMSA-N |
| SMILES | [C@@]1(C(=C)CCCC1(C)C)(CCC(\C=C\C\C(=C\CO)C)(O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930025 |