| SpectraBase Spectrum ID |
DS48MBVegbA |
| Name |
4-Phenoxy-2-phenylmethanesulfonyl-benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.077264518 u |
| Formula |
C20H15NO3S |
| InChI |
InChI=1S/C20H15NO3S/c21-14-17-11-12-19(24-18-9-5-2-6-10-18)13-20(17)25(22,23)15-16-7-3-1-4-8-16/h1-13H,15H2 |
| InChIKey |
IADHMKSQQYGXFZ-UHFFFAOYSA-N |
| Molecular Weight |
349.404 g/mol |
| SMILES |
C1=CC=C(C=C1)CS(C1=C(C#N)C=CC(=C1)OC1=CC=CC=C1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952252 |
