SpectraBase Spectrum ID |
3wV5ttYWUQy |
Name |
N-(4-Methoxyphenyl)-N-methyl-2-oxoethanethioamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.051049770 u |
Formula |
C10H11NO2S |
InChI |
InChI=1S/C10H11NO2S/c1-11(10(14)7-12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3 |
InChIKey |
MRLYNFJQACMNNY-UHFFFAOYSA-N |
Molecular Weight |
209.263 g/mol |
SMILES |
C(N(C=1C=CC(=CC1)OC)C)(=S)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90955 |