| SpectraBase Spectrum ID |
9OHp28OD5nF |
| Name |
N-Methyl-N-[2-(methylthio)phenyl]-3-(4-nitrophenyl)propiolamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.072513490 u |
| Formula |
C17H14N2O3S |
| InChI |
InChI=1S/C17H14N2O3S/c1-18(15-5-3-4-6-16(15)23-2)17(20)12-9-13-7-10-14(11-8-13)19(21)22/h3-8,10-11H,1-2H3 |
| InChIKey |
QUAUVMSQJWRSGC-UHFFFAOYSA-N |
| Molecular Weight |
326.370 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C#CC(N(C=2C(SC)=CC=CC2)C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911411 |
![N-Methyl-N-[2-(methylthio)phenyl]-3-(4-nitrophenyl)propiolamide](/api/spectrum/9OHp28OD5nF/structure.png?h=300&w=458 "N-Methyl-N-[2-(methylthio)phenyl]-3-(4-nitrophenyl)propiolamide")
