| SpectraBase Spectrum ID |
453MyeopFCA |
| Name |
3,4-dibutyl-2-[4-[3,4-dibutyl-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]-2-thienyl]buta-1,3-diynyl]-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]thiophene |
| Alternate Name(s) |
3,4-dibutyl-2-[4-[3,4-dibutyl-5-[5-(3,4-dibutyl-2-thiophenyl)-2-thiophenyl]-2-thiophenyl]buta-1,3-diynyl]-5-[5-(3,4-dibutyl-2-thiophenyl)-2-thiophenyl]thiophene
3,4-dibutyl-2-[4-[3,4-dibutyl-5-[5-(3,4-dibutylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]buta-1,3-diynyl]-5-[5-(3,4-dibutylthiophen-2-yl)thiophen-2-yl]thiophene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C60H78S6 |
| InChI |
InChI=1S/C60H78S6/c1-9-17-27-43-41-61-57(45(43)29-19-11-3)53-37-39-55(63-53)59-49(33-23-15-7)47(31-21-13-5)51(65-59)35-25-26-36-52-48(32-22-14-6)50(34-24-16-8)60(66-52)56-40-38-54(64-56)58-46(30-20-12-4)44(42-62-58)28-18-10-2/h37-42H,9-24,27-34H2,1-8H3 |
| InChIKey |
SBKKXKCMGNVECW-UHFFFAOYSA-N |
| Molecular Weight |
991.644 g/mol |
| SMILES |
c1(sc(C#CC#Cc2sc(-c3sc(-c4scc(c4CCCC)CCCC)cc3)c(c2CCCC)CCCC)c(c1CCCC)CCCC)-c1sc(-c2scc(c2CCCC)CCCC)cc1 |
| SPLASH |
splash10-0006-0000000009-ee104f0705e5c9cfbcba |
| Source of Spectrum |
KC-57-3791-21 |
| Wiley ID |
1623952 |
![3,4-dibutyl-2-[4-[3,4-dibutyl-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]-2-thienyl]buta-1,3-diynyl]-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]thiophene](/api/spectrum/453MyeopFCA/structure.png?h=300&w=458 "3,4-dibutyl-2-[4-[3,4-dibutyl-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]-2-thienyl]buta-1,3-diynyl]-5-[5-(3,4-dibutyl-2-thienyl)-2-thienyl]thiophene")
