| SpectraBase Spectrum ID |
ILLjlQscTRY |
| Name |
5-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2-methoxy-5'-(3methoxycarbonyl)methyl-2'-nitrobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.200215926 u |
| Formula |
C28H30N2O8 |
| InChI |
InChI=1S/C28H30N2O8/c1-35-24-9-7-19(16-27(31)29-12-11-18-6-10-25(36-2)26(15-18)37-3)14-22(24)21-13-20(17-28(32)38-4)5-8-23(21)30(33)34/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,29,31) |
| InChIKey |
AVZHVFHASMLLSD-UHFFFAOYSA-N |
| Molecular Weight |
522.554 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=2C(=CC=C(C2)CC(=O)NCCC2=CC(=C(OC)C=C2)OC)OC)C=C(C=C1)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856497 |
![5-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2-methoxy-5'-(3methoxycarbonyl)methyl-2'-nitrobiphenyl](/api/spectrum/ILLjlQscTRY/structure.png?h=300&w=458 "5-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2-methoxy-5'-(3methoxycarbonyl)methyl-2'-nitrobiphenyl")
