SpectraBase Spectrum ID |
IFldoVHNbIW |
Name |
Succinic acid, 2-chloro-6-fluorophenyl phenethyl 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/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-8H,9-12H2 |
InChIKey |
NNKHYVOTLUDOHV-UHFFFAOYSA-N |
Molecular Weight |
350.773 g/mol |
SMILES |
C(CC(OC1=C(C=CC=C1F)Cl)=O)C(OCCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885099 |