| SpectraBase Spectrum ID |
K5QobNeq8sI |
| Name |
1,2-Benzenediol, o-(2-bromobenzoyl)-o'-(3-phenylpropionyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.031022023 u |
| Formula |
C22H17BrO4 |
| InChI |
InChI=1S/C22H17BrO4/c23-18-11-5-4-10-17(18)22(25)27-20-13-7-6-12-19(20)26-21(24)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2 |
| InChIKey |
XEEZJYUHCMHLIW-UHFFFAOYSA-N |
| Molecular Weight |
425.278 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)CCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89638 |
