| SpectraBase Spectrum ID |
8pHxjNup839 |
| Name |
19,20,21-Triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaene-2,8-dione, 14-(8,14-dioxo-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaen-2-ylidene)- |
| CAS Registry Number |
129756-91-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H18N6O4 |
| InChI |
InChI=1S/C36H18N6O4/c43-33-23-11-1-7-19(37-23)31(20-8-2-12-24(38-20)34(44)28-16-5-15-27(33)41-28)32-21-9-3-13-25(39-21)35(45)29-17-6-18-30(42-29)36(46)26-14-4-10-22(32)40-26/h1-18H |
| InChIKey |
NQQYBJRVEFFGKJ-UHFFFAOYSA-N |
| Molecular Weight |
598.578 g/mol |
| SMILES |
C1(=C2c3nc(C(c4cccc(n4)C(c4nc2ccc4)=O)=O)ccc3)c2nc(C(c3cccc(n3)C(c3nc1ccc3)=O)=O)ccc2 |
| SPLASH |
splash10-0udi-0009000000-2057e9c3827f312e5f90 |
| Source of Spectrum |
J-55-5718-0 |
| Synonyms |
.delta.(2,2')-bis[19,20,21]-triazatetracyclo[13.3.1.1(3,7).1(9,13)]heneicosa-1(19),3,5,7(20),9,11,13(21),15,17-nonaene-8,14-dione].
14-[(2E)-8,14-dioxo-19,20,21-triazatetracyclo[13.3.1.1(3,7).1(9,13)]henicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaen-2-ylidene]-19,20,21-triazatetracyclo[13.3.1.1(3,7).1(9,13)]henicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaene-2,8-dione |
| Wiley ID |
1409984 |
![19,20,21-Triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaene-2,8-dione, 14-(8,14-dioxo-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaen-2-ylidene)-](/api/spectrum/8pHxjNup839/structure.png?h=300&w=458 "19,20,21-Triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaene-2,8-dione, 14-(8,14-dioxo-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]heneicosa-1(19),3,5,7(21),9,11,13(20),15,17-nonaen-2-ylidene)-")
