SpectraBase Spectrum ID |
9PvNKZx4C0R |
Name |
Succinic acid, 3-ethylphenyl pentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.167459249 u |
Formula |
C17H24O4 |
InChI |
InChI=1S/C17H24O4/c1-3-5-6-12-20-16(18)10-11-17(19)21-15-9-7-8-14(4-2)13-15/h7-9,13H,3-6,10-12H2,1-2H3 |
InChIKey |
RNCCENDEDVBZRD-UHFFFAOYSA-N |
SMILES |
C(CC(OC1=CC=CC(CC)=C1)=O)C(OCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880632 |