| SpectraBase Spectrum ID |
FRnE7afBi3n |
| Name |
1,21-Diacetyl-20,40-dinitro-1,21-diaza[4.4.4.4]metacyclophane-13,33-diene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H44N4O6 |
| InChI |
InChI=1S/C42H44N4O6/c1-31(47)43-27-11-19-35-17-7-15-33(29-35)14-4-6-22-38-24-10-26-40(42(38)46(51)52)44(32(2)48)28-12-20-36-18-8-16-34(30-36)13-3-5-21-37-23-9-25-39(43)41(37)45(49)50/h5-10,15-18,21-26,29-30H,3-4,11-14,19-20,27-28H2,1-2H3/b21-5-,22-6+ |
| InChIKey |
AYIHRHNEELJFQF-LWKKFVLGSA-N |
| Molecular Weight |
700.836 g/mol |
| SMILES |
c1(N(=O)=O)c2N(C(=O)C)CCCc3cc(CC\C=C\c4cccc(c4N(=O)=O)N(CCCc4cc(CC\C=C/c1ccc2)ccc4)C(=O)C)ccc3 |
| SPLASH |
splash10-00e9-0900004000-7fe878c130feb4e5661a |
| Source of Spectrum |
K-127-1675-11 |
| Synonyms |
2,20-diacetyl-37,39-dinitro-2,20-diazapentacyclo[31.3.1.1(6,10).1(15,19).1(24,28)]tetraconta-1(37),6(40),7,9,13,15(39),16,18,24(38),25,27,31,33,35-tetradecaene |
| Wiley ID |
1415051 |
![1,21-Diacetyl-20,40-dinitro-1,21-diaza[4.4.4.4]metacyclophane-13,33-diene](/api/spectrum/FRnE7afBi3n/structure.png?h=300&w=458 "1,21-Diacetyl-20,40-dinitro-1,21-diaza[4.4.4.4]metacyclophane-13,33-diene")
