SpectraBase Spectrum ID |
3bCOAy4uJNH |
Name |
N-(3-Bromo-4-chlorophenyl)-2-(4-ethylphenoxy)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
366.997469425 u |
Formula |
C16H15BrClNO2 |
InChI |
InChI=1S/C16H15BrClNO2/c1-2-11-3-6-13(7-4-11)21-10-16(20)19-12-5-8-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20) |
InChIKey |
NNFFSCHJSNMZKN-UHFFFAOYSA-N |
Molecular Weight |
368.658 g/mol |
SMILES |
C(COC1=CC=C(C=C1)CC)(=O)NC1=CC(=C(C=C1)Cl)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9554 |