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

View entire compound with spectra: 1 FTIR

Succinic acid, 4-chloro-3-methylphenyl 4-bromo-2-methoxyphenyl ester
SpectraBase Compound ID CMxtecEeU3J
InChI InChI=1S/C18H16BrClO5/c1-11-9-13(4-5-14(11)20)24-17(21)7-8-18(22)25-15-6-3-12(19)10-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3
InChIKey LKQDVPUELRSKTC-UHFFFAOYSA-N
Mol Weight 427.68 g/mol
Molecular Formula C18H16BrClO5
Exact Mass 425.986964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3CjyoaLGa3I
Name Succinic acid, 4-chloro-3-methylphenyl 4-bromo-2-methoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.986964310 u
Formula C18H16BrClO5
InChI InChI=1S/C18H16BrClO5/c1-11-9-13(4-5-14(11)20)24-17(21)7-8-18(22)25-15-6-3-12(19)10-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3
InChIKey LKQDVPUELRSKTC-UHFFFAOYSA-N
Molecular Weight 427.678 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC1=C(C=C(C=C1)Br)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810995