| SpectraBase Spectrum ID |
wCXWHjdeMQ |
| Name |
(Z)-Heptacos-18-ene-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.381080848 u |
| Formula |
C27H50O2 |
| InChI |
InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10- |
| InChIKey |
JOPYJNRQQOWTHX-KHPPLWFESA-N |
| Molecular Weight |
406.695 g/mol |
| SMILES |
CC(CC(CCCCCCCCCCCCC\C=C/CCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925561 |
