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Succinic acid, 3-chlorophenyl 3-fluorophenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 3-chlorophenyl 3-fluorophenyl ester
SpectraBase Compound ID FfU2fsYUODF
InChI InChI=1S/C16H12ClFO4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2
InChIKey IFBLMKGLSBBYNM-UHFFFAOYSA-N
Mol Weight 322.72 g/mol
Molecular Formula C16H12ClFO4
Exact Mass 322.040815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EPAxvDx7YrI
Name Succinic acid, 3-chlorophenyl 3-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.040814725 u
Formula C16H12ClFO4
InChI InChI=1S/C16H12ClFO4/c17-11-3-1-5-13(9-11)21-15(19)7-8-16(20)22-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2
InChIKey IFBLMKGLSBBYNM-UHFFFAOYSA-N
Molecular Weight 322.719 g/mol
SMILES C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC1=CC=CC(=C1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967727