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

View entire compound with spectra: 1 FTIR

Succinic acid, 4-chloro-3-methylphenyl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID CtUYfJqqQA3
InChI InChI=1S/C17H13BrClFO4/c1-10-8-12(3-4-14(10)19)23-16(21)6-7-17(22)24-15-5-2-11(20)9-13(15)18/h2-5,8-9H,6-7H2,1H3
InChIKey WIBQJAOJFTZDPY-UHFFFAOYSA-N
Mol Weight 415.64 g/mol
Molecular Formula C17H13BrClFO4
Exact Mass 413.966978 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tOC3xB7Kfd
Name Succinic acid, 4-chloro-3-methylphenyl 2-bromo-4-fluorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.966977758 u
Formula C17H13BrClFO4
InChI InChI=1S/C17H13BrClFO4/c1-10-8-12(3-4-14(10)19)23-16(21)6-7-17(22)24-15-5-2-11(20)9-13(15)18/h2-5,8-9H,6-7H2,1H3
InChIKey WIBQJAOJFTZDPY-UHFFFAOYSA-N
Molecular Weight 415.642 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC=1C=CC(=CC1Br)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863197