| SpectraBase Spectrum ID |
6MPNOYXyaUR |
| Name |
Methyl ent-15-oxo-15-methylisocopal-13-en-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.250794952 u |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-14-8-9-16-20(3)11-7-12-22(5,19(24)25-6)17(20)10-13-21(16,4)18(14)15(2)23/h16-17H,7-13H2,1-6H3/t16?,17?,20-,21-,22+/m1/s1 |
| InChIKey |
DCAKQYIYFHAOBF-SWYPSQRASA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
[C@@]12(C(=C(C)CCC1[C@]1(CCC[C@@](C1CC2)(C(=O)OC)C)C)C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958454 |
