SpectraBase Spectrum ID |
3hyy5TUafai |
Name |
Glutaric acid, 3-chlorophenyl phenethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
346.097186788 u |
Formula |
C19H19ClO4 |
InChI |
InChI=1S/C19H19ClO4/c20-16-8-4-9-17(14-16)24-19(22)11-5-10-18(21)23-13-12-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2 |
InChIKey |
NLGBBVIIVWUUEM-UHFFFAOYSA-N |
Molecular Weight |
346.810 g/mol |
SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861082 |