| SpectraBase Spectrum ID |
ECucr7DbfHm |
| Name |
N-[2-(4'-Methoxyphenyl)-2-phenylthioethyl]-2-bromo-4,5-dimethoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.060942427 u |
| Formula |
C24H24BrNO4S |
| InChI |
InChI=1S/C24H24BrNO4S/c1-28-17-11-9-16(10-12-17)23(31-18-7-5-4-6-8-18)15-26-24(27)19-13-21(29-2)22(30-3)14-20(19)25/h4-14,23H,15H2,1-3H3,(H,26,27) |
| InChIKey |
ITTYEBAIESTQOE-UHFFFAOYSA-N |
| Molecular Weight |
502.423 g/mol |
| SMILES |
C=1(C(NCC(SC2=CC=CC=C2)C=2C=CC(=CC2)OC)=O)C(=CC(=C(C1)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910935 |
![N-[2-(4'-Methoxyphenyl)-2-phenylthioethyl]-2-bromo-4,5-dimethoxybenzamide](/api/spectrum/ECucr7DbfHm/structure.png?h=300&w=458 "N-[2-(4'-Methoxyphenyl)-2-phenylthioethyl]-2-bromo-4,5-dimethoxybenzamide")
