SpectraBase Spectrum ID |
Lk2fQcqEo6C |
Name |
Phenylthioacetamide, N-ethyl-N-(3-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
285.118735409 u |
Formula |
C17H19NOS |
InChI |
InChI=1S/C17H19NOS/c1-3-18(15-9-7-8-14(2)12-15)17(19)13-20-16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3 |
InChIKey |
WSNRWDFMYUWYCH-UHFFFAOYSA-N |
SMILES |
C1=CC=CC(=C1)SCC(N(CC)C1=CC(C)=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845141 |