| SpectraBase Compound ID | 59zaybGIplI |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-11(18)21-17(5)10-7-12-15(2,3)8-6-9-16(12,4)13(17)14(19)20/h12-13H,6-10H2,1-5H3,(H,19,20)/t12?,13-,16+,17-/m1/s1 |
| InChIKey | SDDBQBWJNIGUGG-LAPMDVQOSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7rjPaFpdSYn |
|---|---|
| Name | 8.alpha.Acetoxy-11-drimanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-11(18)21-17(5)10-7-12-15(2,3)8-6-9-16(12,4)13(17)14(19)20/h12-13H,6-10H2,1-5H3,(H,19,20)/t12?,13-,16+,17-/m1/s1 |
| InChIKey | SDDBQBWJNIGUGG-LAPMDVQOSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | [C@@]12([C@]([C@@](OC(=O)C)(C)CCC2C(C)(C)CCC1)(C(=O)O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987729 |