| SpectraBase Compound ID | Ghsc7ID5quT |
|---|---|
| InChI | InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1 |
| InChIKey | MSWJSDLNPCSSNW-MISYRCLQSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C20H26O3 |
| Exact Mass | 314.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AnkZIXAz9au |
|---|---|
| Name | Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.188194694 u |
| Formula | C20H26O3 |
| InChI | InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1 |
| InChIKey | MSWJSDLNPCSSNW-MISYRCLQSA-N |
| SMILES | [C@]12([C@@](C=3C=CC(=CC3C(C2)=O)C(C)C)(CCC[C@]1(C(=O)O)C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964177 |