| SpectraBase Spectrum ID |
IYKULOmPfux |
| Name |
3-[4-[2-[2-(3-Carbomethoxy-4-nitro-phenoxy)-3,6-dimethoxy-phenyl]ethyl]phenoxy]-4-methoxy-benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
617.189710811 u |
| Formula |
C33H31NO11 |
| InChI |
InChI=1S/C33H31NO11/c1-39-27-16-17-29(41-3)31(45-23-12-14-26(34(37)38)25(19-23)33(36)43-5)24(27)13-8-20-6-10-22(11-7-20)44-30-18-21(32(35)42-4)9-15-28(30)40-2/h6-7,9-12,14-19H,8,13H2,1-5H3 |
| InChIKey |
MJINANSSYSGTBM-UHFFFAOYSA-N |
| Molecular Weight |
617.607 g/mol |
| SMILES |
C=1(C(N(=O)=O)=CC=C(OC=2C(CCC=3C=CC(OC4=CC(C(=O)OC)=CC=C4OC)=CC3)=C(OC)C=CC2OC)C1)C(=O)OC |
![3-[4-[2-[2-(3-Carbomethoxy-4-nitro-phenoxy)-3,6-dimethoxy-phenyl]ethyl]phenoxy]-4-methoxy-benzoic acid methyl ester](/api/spectrum/IYKULOmPfux/structure.png?h=300&w=458 "3-[4-[2-[2-(3-Carbomethoxy-4-nitro-phenoxy)-3,6-dimethoxy-phenyl]ethyl]phenoxy]-4-methoxy-benzoic acid methyl ester")
