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Fumaric acid, 4-chlorophenyl 2-fluorophenyl ester
SpectraBase Compound ID LW6Gea0sA0d
InChI InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+
InChIKey YOSSXVUCJURFLN-MDZDMXLPSA-N
Mol Weight 320.7 g/mol
Molecular Formula C16H10ClFO4
Exact Mass 320.025165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E0AcDlNrcd4
Name Fumaric acid, 4-chlorophenyl 2-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.025164661 u
Formula C16H10ClFO4
InChI InChI=1S/C16H10ClFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+
InChIKey YOSSXVUCJURFLN-MDZDMXLPSA-N
Molecular Weight 320.703 g/mol
SMILES C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869014