SpectraBase Spectrum ID |
2aJLwusnpRr |
Name |
2,6,10,14-Heptadecanetetrone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.198759378 u |
Formula |
C17H28O4 |
InChI |
InChI=1S/C17H28O4/c1-3-7-15(19)10-5-11-17(21)13-6-12-16(20)9-4-8-14(2)18/h3-13H2,1-2H3 |
InChIKey |
KLSPWSUPQKVPLO-UHFFFAOYSA-N |
Molecular Weight |
296.407 g/mol |
SMILES |
CC(CCCC(CCCC(CCCC(CCC)=O)=O)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953457 |