| SpectraBase Spectrum ID |
Cu0qJ4CMnN2 |
| Name |
2-Benzylsulfonyl-4,6-dimethoxybenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.072179137 u |
| Formula |
C16H15NO4S |
| InChI |
InChI=1S/C16H15NO4S/c1-20-13-8-15(21-2)14(10-17)16(9-13)22(18,19)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3 |
| InChIKey |
IKDNLGCHWXLXIH-UHFFFAOYSA-N |
| Molecular Weight |
317.359 g/mol |
| SMILES |
C(C=1C(=CC(=CC1OC)OC)S(=O)(=O)CC=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841514 |
