| SpectraBase Spectrum ID |
GfRNpxW9LnF |
| Name |
(E)-A-Benxylsulfonyl-B-phenylacrylonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.066699835 u |
| Formula |
C16H13NO2S |
| InChI |
InChI=1S/C16H13NO2S/c17-12-16(11-14-7-3-1-4-8-14)20(18,19)13-15-9-5-2-6-10-15/h1-11H,13H2/b16-11+ |
| InChIKey |
MFWRVUDJMKOMFV-LFIBNONCSA-N |
| SMILES |
C1(\C=C/(S(CC=2C=CC=CC2)(=O)=O)C#N)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950571 |
