SpectraBase Spectrum ID |
JYiRy6JlxoL |
Name |
Acetamide, N-(4-bromophenyl)-2-phenylthio- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.982298183 u |
Formula |
C14H12BrNOS |
InChI |
InChI=1S/C14H12BrNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17) |
InChIKey |
YQSKUBFOMQDONL-UHFFFAOYSA-N |
Molecular Weight |
322.220 g/mol |
SMILES |
C1=C(C=CC=C1)SCC(NC1=CC=C(C=C1)Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961843 |