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Succinic acid, 4-chloro-3-methylphenyl 2-fluorophenyl ester

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

Succinic acid, 4-chloro-3-methylphenyl 2-fluorophenyl ester
SpectraBase Compound ID KdO6mvR0vE
InChI InChI=1S/C17H14ClFO4/c1-11-10-12(6-7-13(11)18)22-16(20)8-9-17(21)23-15-5-3-2-4-14(15)19/h2-7,10H,8-9H2,1H3
InChIKey XYCMUMPIRJGUOX-UHFFFAOYSA-N
Mol Weight 336.75 g/mol
Molecular Formula C17H14ClFO4
Exact Mass 336.056465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IsO1PVHCEUl
Name Succinic acid, 4-chloro-3-methylphenyl 2-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.056464790 u
Formula C17H14ClFO4
InChI InChI=1S/C17H14ClFO4/c1-11-10-12(6-7-13(11)18)22-16(20)8-9-17(21)23-15-5-3-2-4-14(15)19/h2-7,10H,8-9H2,1H3
InChIKey XYCMUMPIRJGUOX-UHFFFAOYSA-N
Molecular Weight 336.746 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC1=CC=CC=C1F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960727