SpectraBase Spectrum ID |
1nNtosNH58d |
Name |
1-(3-Bromo-4-methyl-benzoyl)-imidazolidin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.000390600 u |
Formula |
C11H11BrN2O2 |
InChI |
InChI=1S/C11H11BrN2O2/c1-7-2-3-8(6-9(7)12)10(15)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16) |
InChIKey |
YQCLOBOHQKXSKE-UHFFFAOYSA-N |
SMILES |
C1=C(C=C(C(=C1)C)Br)C(N1C(NCC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918223 |