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 |