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2-Bromo-benzoic acid biphenyl-4-yl ester
SpectraBase Compound ID L7S88Q4a3KG
InChI InChI=1S/C19H13BrO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey ZREUHIFWVAMBSH-UHFFFAOYSA-N
Mol Weight 353.22 g/mol
Molecular Formula C19H13BrO2
Exact Mass 352.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4i8PJBWEE9q
Name 2-Bromo-benzoic acid biphenyl-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.009892657 u
Formula C19H13BrO2
InChI InChI=1S/C19H13BrO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey ZREUHIFWVAMBSH-UHFFFAOYSA-N
Molecular Weight 353.215 g/mol
SMILES C1(C2=CC=CC=C2)=CC=C(C=C1)OC(C1=C(C=CC=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868644