| SpectraBase Spectrum ID |
D25YNX1m7SO |
| Name |
4-Chloro-2-(4-methoxyphenyl)-3,3-dimethyl-4-(p-tolylsulfinyl)butanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.105977824 u |
| Formula |
C20H22ClNO2S |
| InChI |
InChI=1S/C20H22ClNO2S/c1-14-5-11-17(12-6-14)25(23)19(21)20(2,3)18(13-22)15-7-9-16(24-4)10-8-15/h5-12,18-19H,1-4H3 |
| InChIKey |
RUIUDXOGTSXUNA-UHFFFAOYSA-N |
| Molecular Weight |
375.914 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)=O)(C(C(C#N)C1=CC=C(C=C1)OC)(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895148 |
