| SpectraBase Spectrum ID |
9ogru31qaCp |
| Name |
6,21-bis(Chloroacetyl)-6,13,14,21-tetraaza[6.2.6.1.](1,3)(1,3)(1,4)(1,4)-cyclophan-13-ene |
| Alternate Name(s) |
13,25-bis(chloroacetyl)-13,19,20,25-tetraazapentacyclo[29.2.2.2(21,24).1(3,7).1(14,18)]nonatriaconta-1(33),3(39),4,6,14(38),15,17,19,21,23,31,34,36-tridecaene |
| CAS Registry Number |
140661-64-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H42Cl2N4O2 |
| InChI |
InChI=1S/C39H42Cl2N4O2/c40-28-38(46)44-23-5-1-3-9-30-15-17-32(18-16-30)26-33-12-7-11-31(25-33)10-4-2-6-24-45(39(47)29-41)37-14-8-13-35(27-37)43-42-34-19-21-36(44)22-20-34/h7-8,11-22,25,27H,1-6,9-10,23-24,26,28-29H2/b43-42+ |
| InChIKey |
WCZNCPYBEUUQPL-HBSCQBRPSA-N |
| Molecular Weight |
669.697 g/mol |
| SMILES |
c12N(CCCCCc3cc(Cc4ccc(CCCCCN(c5ccc(\N=N\c(c2)ccc1)cc5)C(=O)CCl)cc4)ccc3)C(=O)CCl |
| SPLASH |
splash10-01c1-0000019000-b882e2f891de7f2a4d43 |
| Source of Spectrum |
K-125-1682-9 |
| Wiley ID |
1413858 |
(1,3)(1,4)(1,4)-cyclophan-13-ene](/api/spectrum/9ogru31qaCp/structure.png?h=300&w=458 "6,21-bis(Chloroacetyl)-6,13,14,21-tetraaza[6.2.6.1.](1,3)(1,3)(1,4)(1,4)-cyclophan-13-ene")
