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Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester

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

Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester
SpectraBase Compound ID Cknv9Ys8eWD
InChI InChI=1S/C16H9Cl2FO4/c17-10-5-6-13(11(18)9-10)22-15(20)7-8-16(21)23-14-4-2-1-3-12(14)19/h1-9H/b8-7+
InChIKey ALNLHSNCANEMTD-BQYQJAHWSA-N
Mol Weight 355.15 g/mol
Molecular Formula C16H9Cl2FO4
Exact Mass 353.986192 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2rL87IlA8lE
Name Fumaric acid, 2,4-dichlorophenyl 2-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.986192329 u
Formula C16H9Cl2FO4
InChI InChI=1S/C16H9Cl2FO4/c17-10-5-6-13(11(18)9-10)22-15(20)7-8-16(21)23-14-4-2-1-3-12(14)19/h1-9H/b8-7+
InChIKey ALNLHSNCANEMTD-BQYQJAHWSA-N
Molecular Weight 355.148 g/mol
SMILES C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941752