| SpectraBase Compound ID | FZcOeoVgShU |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1 |
| InChIKey | MLBYBBUZURKHAW-LYBXBRPPSA-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 | F5oz1EwfdpY |
|---|---|
| Name | Palustric acid |
| 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/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m1/s1 |
| InChIKey | MLBYBBUZURKHAW-LYBXBRPPSA-N |
| SMILES | CC(C=1CCC2=C(C1)CCC1[C@@](CCCC21C)(C(O)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963002 |