| SpectraBase Spectrum ID |
EL94Plw544X |
| Name |
13,20-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.3.0.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione |
| Alternate Name(s) |
diethyl 10,18-dioxo-11,14,17-trioxa-1,5,6,22-tetraazatricyclo[17.2.1.0(5,9)]docosa-6,8,19(22),20-tetraene-7,21-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N4O9 |
| InChI |
InChI=1S/C21H26N4O9/c1-3-31-18(26)14-12-17-21(29)34-11-9-30-8-10-33-19(27)15-13-16(20(28)32-4-2)24(23-15)6-5-7-25(17)22-14/h12-13H,3-11H2,1-2H3 |
| InChIKey |
HLGPKYUNOTVEMH-UHFFFAOYSA-N |
| Molecular Weight |
478.458 g/mol |
| SMILES |
c12cc(C(=O)OCC)n[n]2CCC[n]2c(cc(n2)C(=O)OCCOCCOC1=O)C(=O)OCC |
| SPLASH |
splash10-0udi-0090100000-10018bc3ca6c3dd912b5 |
| Source of Spectrum |
F-53-11485-4 |
| Wiley ID |
803466 |
![13,20-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.3.0.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione](/api/spectrum/EL94Plw544X/structure.png?h=300&w=458 "13,20-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.3.0.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione")
