SpectraBase Spectrum ID |
HGsdVLsY8SR |
Name |
(6E,8E)-Heptadeca-1,8,10-triene-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.214015521 u |
Formula |
C17H28O |
InChI |
InChI=1S/C17H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-12H,2-3,5-8,13-16H2,1H3/b10-9+,12-11+ |
InChIKey |
YSAWPRMJPMURDV-HULFFUFUSA-N |
Molecular Weight |
248.410 g/mol |
SMILES |
C(\C=C\C=C\CCCCC(C=C)=O)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985069 |