Molecule
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1H--1H correlation spectroscopy (1H-1H COSY)
2-[[5-[5-[10-[5-[5-(2,2-dicyanoethenyl)-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]-7-(2-ethylhexyl)-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]methylidene]propanedinitrile
Chemical Information
| InChI | InChI=1S/C64H77N5S6/c1-7-13-18-22-27-47-33-59(70-53(47)31-45(39-65)40-66)61-49(29-24-20-15-9-3)35-55(72-61)57-37-51-63(74-57)64-52(69(51)43-44(12-6)26-17-11-5)38-58(75-64)56-36-50(30-25-21-16-10-4)62(73-56)60-34-48(28-23-19-14-8-2)54(71-60)32-46(41-67)42-68/h31-38,44H,7-30,43H2,1-6H3 |
|---|---|
| SMILES | CCCCC(Cn1c2cc(sc2c2c1cc(s2)c1cc(c(s1)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)CCCCCC)c1cc(c(s1)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)CCCCCC)CC |
| InChI Key | DEDAYOVNIMXGKN-UHFFFAOYSA-N |
| Exact Mass | 1108.720 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol8837 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 102530762 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |