| SpectraBase Spectrum ID |
BtZiTDQ9S9k |
| Name |
4-Iodo-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene trimer |
| Alternate Name(s) |
4-Iodo-3'''-bromo-1'''-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene trimer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C108H120BrI |
| InChI |
InChI=1S/C108H120BrI/c1-7-13-19-25-34-95-74-104(85-58-48-80(49-59-85)92-42-32-43-93(71-92)82-52-62-87(63-53-82)107-77-100(39-30-24-18-12-6)108(89-66-68-102(110)69-67-89)78-99(107)38-29-23-17-11-5)96(35-26-20-14-8-2)73-103(95)84-56-46-79(47-57-84)90-40-31-41-91(70-90)81-50-60-86(61-51-81)105-75-98(37-28-22-16-10-4)106(76-97(105)36-27-21-15-9-3)88-64-54-83(55-65-88)94-44-33-45-101(109)72-94/h31-33,40-78H,7-30,34-39H2,1-6H3 |
| InChIKey |
IKIHRQMETKLLQC-UHFFFAOYSA-N |
| Molecular Weight |
1624.956 g/mol |
| SMILES |
c1(cc(CCCCCC)c(cc1CCCCCC)-c1ccc(-c2cc(Br)ccc2)cc1)-c1ccc(-c2cc(-c3ccc(-c4cc(CCCCCC)c(cc4CCCCCC)-c4ccc(-c5cc(-c6ccc(-c7cc(CCCCCC)c(cc7CCCCCC)-c7ccc(cc7)I)cc6)ccc5)cc4)cc3)ccc2)cc1 |
| SPLASH |
splash10-004i-0000009000-469e217ae4a704338a47 |
| Source of Spectrum |
QE-5-428-11 |
| Wiley ID |
844073 |
![4-Iodo-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene trimer](/api/spectrum/BtZiTDQ9S9k/structure.png?h=300&w=458 "4-Iodo-3\"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene trimer")
