SpectraBase Spectrum ID |
KLslMUSiTGL |
Name |
Succinic acid, 3-methylbut-2-en-1-yl 3-phenylpropyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.167459249 u |
Formula |
C18H24O4 |
InChI |
InChI=1S/C18H24O4/c1-15(2)12-14-22-18(20)11-10-17(19)21-13-6-9-16-7-4-3-5-8-16/h3-5,7-8,12H,6,9-11,13-14H2,1-2H3 |
InChIKey |
CBCSNKHNEQGRPH-UHFFFAOYSA-N |
SMILES |
C(CC(OCC=C(C)C)=O)C(OCCCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8638 |