| SpectraBase Spectrum ID |
GVYJU38OpEf |
| Name |
Glutaric acid, 2-fluorophenyl 4-chlorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.072114854 u |
| Formula |
C18H16ClFO4 |
| InChI |
InChI=1S/C18H16ClFO4/c19-14-10-8-13(9-11-14)12-23-17(21)6-3-7-18(22)24-16-5-2-1-4-15(16)20/h1-2,4-5,8-11H,3,6-7,12H2 |
| InChIKey |
VTEQJDKBCIYALM-UHFFFAOYSA-N |
| Molecular Weight |
350.773 g/mol |
| SMILES |
C(CCC(OC1=CC=CC=C1F)=O)C(OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971867 |
