SpectraBase Spectrum ID |
DetR8PRBag7 |
Name |
N-Benzyl-2-(2-bromo-4-methylphenoxy)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
333.036441757 u |
Formula |
C16H16BrNO2 |
InChI |
InChI=1S/C16H16BrNO2/c1-12-7-8-15(14(17)9-12)20-11-16(19)18-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19) |
InChIKey |
HANDJJCKBLAOMP-UHFFFAOYSA-N |
Molecular Weight |
334.213 g/mol |
SMILES |
C1=CC(=C(C=C1C)Br)OCC(NCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907354 |