| SpectraBase Spectrum ID |
31HqrF7DBJg |
| Name |
3-Bromobenzoic acid, 4-biphenyl 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/c20-17-8-4-7-16(13-17)19(21)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H |
| InChIKey |
HHUWNSSMBHPCEF-UHFFFAOYSA-N |
| Molecular Weight |
353.215 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805584 |
