| SpectraBase Spectrum ID |
IrqmDcXibIA |
| Name |
Macrocyclo {2,6-Bis[1,3-dimethylbenzene]bis[8b,8c-di(carboethoxy)-4,8-dioxotetrahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene]} |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H52N12O12 |
| InChI |
InChI=1S/C44H52N12O12/c1-5-65-33(57)41-42(34(58)66-6-2)51-23-46-18-30-12-10-14-32(16-30)20-48-27-55-39(63)53-25-47(26-54-40(64)56(28-48)44(55,36(60)68-8-4)43(53,54)35(59)67-7-3)19-31-13-9-11-29(15-31)17-45(21-49(41)37(51)61)22-50(41)38(62)52(42)24-46/h9-16H,5-8,17-28H2,1-4H3 |
| InChIKey |
YHZHIMXAELYZES-UHFFFAOYSA-N |
| Molecular Weight |
940.972 g/mol |
| SMILES |
C12(C3(N4CN5CN3C(N1CN(CN2C4=O)Cc1cc(CN2CN3C(=O)N4CN(Cc6cc(C5)ccc6)CN5C(N(C3(C45C(=O)OCC)C(=O)OCC)C2)=O)ccc1)=O)C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-0006-0001503019-f0d1358693266db96a95 |
| Source of Spectrum |
F4-0-2899-5 |
| Wiley ID |
1620478 |
![Macrocyclo {2,6-Bis[1,3-dimethylbenzene]bis[8b,8c-di(carboethoxy)-4,8-dioxotetrahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene]}](/api/spectrum/IrqmDcXibIA/structure.png?h=300&w=458 "Macrocyclo {2,6-Bis[1,3-dimethylbenzene]bis[8b,8c-di(carboethoxy)-4,8-dioxotetrahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene]}")
