| SpectraBase Spectrum ID |
1gotbYrEms2 |
| Name |
4-[5-(4-Carbomethoxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.148574273 u |
| Formula |
C23H26N2O12 |
| InChI |
InChI=1S/C23H26N2O12/c1-32-18-10-14(22(26)34-3)16(24(28)29)12-20(18)36-8-6-5-7-9-37-21-13-17(25(30)31)15(23(27)35-4)11-19(21)33-2/h10-13H,5-9H2,1-4H3 |
| InChIKey |
OIHDBQCFLXDJAW-UHFFFAOYSA-N |
| Molecular Weight |
522.463 g/mol |
| SMILES |
C1(=C(N(=O)=O)C=C(C(=C1)OC)OCCCCCOC1=CC(N(=O)=O)=C(C=C1OC)C(=O)OC)C(=O)OC |
![4-[5-(4-Carbomethoxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid methyl ester](/api/spectrum/1gotbYrEms2/structure.png?h=300&w=458 "4-[5-(4-Carbomethoxy-2-methoxy-5-nitro-phenoxy)pentoxy]-5-methoxy-2-nitro-benzoic acid methyl ester")
