![4,4'-(2,2',2''',2'''',5,5',5''',5''''-octamethyl-[1,1':4',1'':4'',1''':4''',1''''-quinquephenyl]- 4,4''''-diyl)dipyridine](/api/spectrum/3KQDTFQq9Ef/structure.png?h=300&w=458 "4,4'-(2,2',2''',2'''',5,5',5''',5''''-octamethyl-[1,1':4',1'':4'',1''':4''',1''''-quinquephenyl]- 4,4''''-diyl)dipyridine")
| SpectraBase Compound ID | BYU6EP1VkK2 |
|---|---|
| InChI | InChI=1S/C48H44N2/c1-29-25-45(47-27-31(3)43(23-35(47)7)39-13-17-49-18-14-39)33(5)21-41(29)37-9-11-38(12-10-37)42-22-34(6)46(26-30(42)2)48-28-32(4)44(24-36(48)8)40-15-19-50-20-16-40/h9-28H,1-8H3 |
| InChIKey | YXGCILBBCKSSTD-UHFFFAOYSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C48H44N2 |
| Exact Mass | 648.350449 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3KQDTFQq9Ef |
|---|---|
| Name | 4,4'-(2,2',2''',2'''',5,5',5''',5''''-octamethyl-[1,1':4',1'':4'',1''':4''',1''''-quinquephenyl]- 4,4''''-diyl)dipyridine |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H44N2 |
| InChI | InChI=1S/C48H44N2/c1-29-25-45(47-27-31(3)43(23-35(47)7)39-13-17-49-18-14-39)33(5)21-41(29)37-9-11-38(12-10-37)42-22-34(6)46(26-30(42)2)48-28-32(4)44(24-36(48)8)40-15-19-50-20-16-40/h9-28H,1-8H3 |
| InChIKey | YXGCILBBCKSSTD-UHFFFAOYSA-N |
| Instrument Name | Finnigan MAT 125 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.201801232 |
| Molecular Weight | 648.894 g/mol |
| Reported Formula | C48H44N2 |
| SMILES | c1cc(ccn1)-c1cc(c(cc1C)-c1cc(c(cc1C)-c1ccc(cc1)-c1cc(c(cc1C)-c1cc(c(cc1C)-c1ccncc1)C)C)C)C |
| SPLASH | splash10-02t9-0119400000-6350d126859c7620f2fe |
| Source of Spectrum | U1-2019-SM66-49 |
| Wiley ID | 1846059 |