| SpectraBase Spectrum ID |
Lg6ibNnVcaE |
| Name |
(E)-1-[2-(Benzylsulfonyl)phenyl]-1-nitro-2-phenylethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.087829201 u |
| Formula |
C21H17NO4S |
| InChI |
InChI=1S/C21H17NO4S/c23-22(24)20(15-17-9-3-1-4-10-17)19-13-7-8-14-21(19)27(25,26)16-18-11-5-2-6-12-18/h1-15H,16H2/b20-15+ |
| InChIKey |
CSTCMRXULVPZOZ-HMMYKYKNSA-N |
| Molecular Weight |
379.430 g/mol |
| SMILES |
C=1(S(CC2=CC=CC=C2)(=O)=O)C(\C(N(=O)=O)=C/C2=CC=CC=C2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807967 |
![(E)-1-[2-(Benzylsulfonyl)phenyl]-1-nitro-2-phenylethene](/api/spectrum/Lg6ibNnVcaE/structure.png?h=300&w=458 "(E)-1-[2-(Benzylsulfonyl)phenyl]-1-nitro-2-phenylethene")
