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Phthalic acid, 4-bromophenyl 3-methylphenyl ester

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

Phthalic acid, 4-bromophenyl 3-methylphenyl ester
SpectraBase Compound ID 2Aho9f4UmmE
InChI InChI=1S/C21H15BrO4/c1-14-5-4-6-17(13-14)26-21(24)19-8-3-2-7-18(19)20(23)25-16-11-9-15(22)10-12-16/h2-13H,1H3
InChIKey VWAUSCBBERVBKP-UHFFFAOYSA-N
Mol Weight 411.25 g/mol
Molecular Formula C21H15BrO4
Exact Mass 410.015372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GqieWwRvCRe
Name Phthalic acid, 4-bromophenyl 3-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.015371959 u
Formula C21H15BrO4
InChI InChI=1S/C21H15BrO4/c1-14-5-4-6-17(13-14)26-21(24)19-8-3-2-7-18(19)20(23)25-16-11-9-15(22)10-12-16/h2-13H,1H3
InChIKey VWAUSCBBERVBKP-UHFFFAOYSA-N
Molecular Weight 411.251 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839573