| SpectraBase Spectrum ID |
9z2LQ9oRFqy |
| Name |
N,N'-(dimethylmalonyl)-2,11-dithia-19,20-diaza-[3.3.2[(1,3)(1,3)(1,3)cyclophane |
| Alternate Name(s) |
4,4-Dimethyl-13,21-dithia-2,6-diazapentacyclo[21.3.1.1(7,11).1(15,19).0(2,6)]nonacosa-1(27),7(29),8,10,15(28),16,18,23,25-nonaene-3,5-dione |
| CAS Registry Number |
125686-39-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26N2O2S2 |
| InChI |
InChI=1S/C27H26N2O2S2/c1-27(2)25(30)28-23-10-4-8-21(13-23)17-32-15-19-6-3-7-20(12-19)16-33-18-22-9-5-11-24(14-22)29(28)26(27)31/h3-14H,15-18H2,1-2H3 |
| InChIKey |
WIKRJLLXEPYAFH-UHFFFAOYSA-N |
| Molecular Weight |
474.637 g/mol |
| SMILES |
C1(N2N(C(C1(C)C)=O)c1cc(CSCc3cccc(CSCc4cc2ccc4)c3)ccc1)=O |
| SPLASH |
splash10-00ei-2900600000-5d92ea2409889cfd8de4 |
| Source of Spectrum |
K-123-1401-9 |
| Wiley ID |
1393894 |
