SpectraBase Spectrum ID |
EEhkiTJHxmk |
Name |
Propanamide, N-(4-methoxyphenyl)-2-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.005141628 u |
Formula |
C10H12BrNO2 |
InChI |
InChI=1S/C10H12BrNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-7H,1-2H3,(H,12,13) |
InChIKey |
OHKOKTSMJKGAHR-UHFFFAOYSA-N |
Molecular Weight |
258.115 g/mol |
SMILES |
CC(C(NC1=CC=C(OC)C=C1)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905234 |