| SpectraBase Spectrum ID |
9gFwI1bfsI8 |
| Name |
(Z)-Nonacos-20-ene-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.412380977 u |
| Formula |
C29H54O2 |
| InChI |
InChI=1S/C29H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)27-28(2)30/h10-11H,3-9,12-27H2,1-2H3/b11-10- |
| InChIKey |
OFVPQPWVGAMWFR-KHPPLWFESA-N |
| Molecular Weight |
434.749 g/mol |
| SMILES |
CC(CC(CCCCCCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929879 |
