SpectraBase Spectrum ID |
IFivBx6CuNB |
Name |
N-{2-[2-(2-Bromo-4,5-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenylethyl}acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
479.094350555 u |
Formula |
C22H26BrNO6 |
InChI |
InChI=1S/C22H26BrNO6/c1-13(25)24-7-6-14-9-19(27-2)21(29-4)11-16(14)18(26)8-15-10-20(28-3)22(30-5)12-17(15)23/h9-12H,6-8H2,1-5H3,(H,24,25) |
InChIKey |
HXAHWMDNWSQJEV-UHFFFAOYSA-N |
Molecular Weight |
480.355 g/mol |
SMILES |
C1(C(CC=2C(=CC(=C(C2)OC)OC)Br)=O)=CC(OC)=C(C=C1CCNC(=O)C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965814 |