SpectraBase Spectrum ID |
H43ugzCuVSY |
Name |
Acetamide, N-(4-fluorophenyl)-2-phenylthio- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.062363346 u |
Formula |
C14H12FNOS |
InChI |
InChI=1S/C14H12FNOS/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 |
BZOQHGJUFYYMFB-UHFFFAOYSA-N |
Molecular Weight |
261.314 g/mol |
SMILES |
C1=C(C=CC=C1)SCC(NC1=CC=C(C=C1)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96432 |