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Phthalic acid, 4-bromophenyl phenyl ester

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

Phthalic acid, 4-bromophenyl phenyl ester
SpectraBase Compound ID 7ZEIWNdBuQS
InChI InChI=1S/C20H13BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h1-13H
InChIKey GDIWWAVAGANRLD-UHFFFAOYSA-N
Mol Weight 397.22 g/mol
Molecular Formula C20H13BrO4
Exact Mass 395.999722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1zRXfrG8wmA
Name Phthalic acid, 4-bromophenyl phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.999721895 u
Formula C20H13BrO4
InChI InChI=1S/C20H13BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h1-13H
InChIKey GDIWWAVAGANRLD-UHFFFAOYSA-N
Molecular Weight 397.224 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937941