SpectraBase Spectrum ID |
BPen2S9i5ke |
Name |
Propanamide, 2-bromo-N-(4-bromo-3-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.920739977 u |
Formula |
C10H11Br2NO |
InChI |
InChI=1S/C10H11Br2NO/c1-6-5-8(3-4-9(6)12)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14) |
InChIKey |
IFWRABRCIZOJDV-UHFFFAOYSA-N |
Molecular Weight |
321.012 g/mol |
SMILES |
C(NC=1C=C(C)C(=CC1)Br)(=O)C(Br)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872051 |