SpectraBase Spectrum ID |
KK8wj4UwUsH |
Name |
1-(3-Nitrophenylsulfonyl)-2-phenylethylene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.040879008 u |
Formula |
C14H11NO4S |
InChI |
InChI=1S/C14H11NO4S/c16-15(17)13-7-4-8-14(11-13)20(18,19)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+ |
InChIKey |
SBYUAIXSSFMSED-MDZDMXLPSA-N |
SMILES |
C1=CC(=CC(=C1)S(=O)(\C=C\C1=CC=CC=C1)=O)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850428 |