| SpectraBase Spectrum ID |
EYiJPYo9Asc |
| Name |
N-(2-(2,5-Dimethoxy-4-[(2-methylpropyl)thio)phenyl)ethyl)-3-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.181729588 u |
| Formula |
C22H29NO4S |
| InChI |
InChI=1S/C22H29NO4S/c1-15(2)14-28-21-13-19(26-4)16(12-20(21)27-5)9-10-23-22(24)17-7-6-8-18(11-17)25-3/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,23,24) |
| InChIKey |
HBQNQBLAEPTHPI-UHFFFAOYSA-N |
| Molecular Weight |
403.537 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)SCC(C)C)OC)CCNC(C=1C=C(C=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906611 |
