| SpectraBase Spectrum ID |
9gmHsNtVFnD |
| Name |
Kolavenol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.271530397 u |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-16(12-15-24-19(4)23)10-13-21(5)18(3)11-14-22(6)17(2)8-7-9-20(21)22/h8,12,18,20H,7,9-11,13-15H2,1-6H3/b16-12+ |
| InChIKey |
XAYGDGVRGSNBDV-FOWTUZBSSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C(\C=C\(CCC1(C(CCC2(C1CCC=C2C)C)C)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882647 |
