| SpectraBase Compound ID | 6jmVuaIg3YQ |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15?,16?,19?,20+/m1/s1 |
| InChIKey | HPQKNJHVWUWAOR-ZVLCKCIASA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2MueGJi8585 |
|---|---|
| Name | Dihydroagathic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.230059506 u |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15?,16?,19?,20+/m1/s1 |
| InChIKey | HPQKNJHVWUWAOR-ZVLCKCIASA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | C1(C(C2(CCC[C@@](C2CC1)(C(O)=O)C)C)CC[C@@](C)(CC(=O)O)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970792 |