SpectraBase Spectrum ID |
30n9gsyP5tg |
Name |
Glutaric acid, 2-(4-chlorophenyl)ethyl ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.097186788 u |
Formula |
C15H19ClO4 |
InChI |
InChI=1S/C15H19ClO4/c1-2-19-14(17)4-3-5-15(18)20-11-10-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3 |
InChIKey |
PGBOGSJDIIGIEW-UHFFFAOYSA-N |
SMILES |
C(OCCC1=CC=C(C=C1)Cl)(=O)CCCC(OCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845451 |