| SpectraBase Spectrum ID |
DNOVjlNzi7c |
| Name |
1,3-Benzenediol, o-(2-bromopropionyl)-o'-(3-methylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.015371959 u |
| Formula |
C17H15BrO4 |
| InChI |
InChI=1S/C17H15BrO4/c1-11-5-3-6-13(9-11)17(20)22-15-8-4-7-14(10-15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey |
GDMWCSHBXBJVSP-UHFFFAOYSA-N |
| Molecular Weight |
363.207 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)C1=CC(C)=CC=C1)OC(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929047 |
