SpectraBase Spectrum ID |
1r3lpLxdGgp |
Name |
2-Acetamido-diphenylsulfide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.071785216 u |
Formula |
C14H13NOS |
InChI |
InChI=1S/C14H13NOS/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16) |
InChIKey |
UYBXGTHDRYRWFD-UHFFFAOYSA-N |
Molecular Weight |
243.324 g/mol |
SMILES |
C1(NC(=O)C)=C(SC2=CC=CC=C2)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964875 |