| SpectraBase Spectrum ID |
7Rm6aH2RkXo |
| Name |
4-(3,4-Dimethoxybenzyl)-N-(2,6-dimethylphenyl)-3-methyl-5-oxothiomorpholine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.176978560 u |
| Formula |
C23H28N2O4S |
| InChI |
InChI=1S/C23H28N2O4S/c1-15-7-6-8-16(2)21(15)24-22(27)23(3)14-30-13-20(26)25(23)12-17-9-10-18(28-4)19(11-17)29-5/h6-11H,12-14H2,1-5H3,(H,24,27) |
| InChIKey |
QIIWHDDFLLQZEX-UHFFFAOYSA-N |
| Molecular Weight |
428.547 g/mol |
| SMILES |
C1(N(C(CSC1)=O)CC1=CC(=C(C=C1)OC)OC)(C(=O)NC1=C(C=CC=C1C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826786 |
