| SpectraBase Spectrum ID |
4o4w9aCst5s |
| Name |
5,5'''''-Di(adamantan-1-yl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-sexithiophene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H42S6 |
| InChI |
InChI=1S/C44H42S6/c1-3-33(35-5-7-37(47-35)39-9-11-41(49-39)43-19-25-13-26(20-43)15-27(14-25)21-43)45-31(1)32-2-4-34(46-32)36-6-8-38(48-36)40-10-12-42(50-40)44-22-28-16-29(23-44)18-30(17-28)24-44/h1-12,25-30H,13-24H2/t25-,26+,27-,28-,29+,30-,43-,44- |
| InChIKey |
CXROZJJHVXZLOO-APCOJPQNSA-N |
| Molecular Weight |
763.180 g/mol |
| SMILES |
C1C2CC3CC1(CC(C3)C2)c1sc(cc1)-c1sc(-c2sc(cc2)-c2sc(cc2)-c2sc(cc2)-c2sc(cc2)C23CC4CC(C3)CC(C2)C4)cc1 |
| SPLASH |
splash10-03di-0000000900-d5b2e3a55e9dcb0996d8 |
| Source of Spectrum |
AJO-4-768-4b |
| Synonyms |
5-((3S,5S)-adamantan-1-yl)-5'''''-((3r,5r,7r)-adamantan-1-yl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-sexithiophene |
| Wiley ID |
1785160 |
