SpectraBase Spectrum ID |
D3MJUHPU9Ij |
Name |
Succinic acid, 2-ethylhexyl pent-4-en-2-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.214409442 u |
Formula |
C17H30O4 |
InChI |
InChI=1S/C17H30O4/c1-5-8-10-15(7-3)13-20-16(18)11-12-17(19)21-14(4)9-6-2/h6,14-15H,2,5,7-13H2,1,3-4H3 |
InChIKey |
CEIZJUIOPRJQAA-UHFFFAOYSA-N |
SMILES |
C(CC(OCC(CC)CCCC)=O)C(OC(CC=C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930871 |