| SpectraBase Spectrum ID |
3oT8MmdWGO |
| Name |
2,8-Bis[(1-hexyl-1H-pyrazol-4-yl)ethynyl]benzo[1,2,3-de:4,5,6-d'e']diquinoline-1,7-dicarbonitrile |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
652.306293191 u |
| Formula |
C42H36N8 |
| InChI |
InChI=1S/C42H36N8/c1-3-5-7-9-21-49-27-29(25-45-49)17-19-35-33(23-43)39-31-13-12-16-38-42(31)40(32-14-11-15-37(47-35)41(32)39)34(24-44)36(48-38)20-18-30-26-46-50(28-30)22-10-8-6-4-2/h11-16,25-28H,3-10,21-22H2,1-2H3 |
| InChIKey |
AFISZWVBDYPKPL-UHFFFAOYSA-N |
| Instrument Name |
ThermoQuest MAT95XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.661 |
| Molecular Weight |
652.806 g/mol |
| SMILES |
C=12N=C(C#CC3=CN(N=C3)CCCCCC)C(C#N)=C3C=4C=CC=C5N=C(C#CC=6C=NN(C6)CCCCCC)C(C#N)=C(C(=C23)C=CC1)C45 |
| SPLASH |
splash10-0ue9-0000249000-fd9b4041586385b89699 |
| Source of Spectrum |
ARK-2022-41-11c (DOI: 10.24820/ark.5550190.p011.661) |
| Wiley ID |
1896871 |
![2,8-Bis[(1-hexyl-1H-pyrazol-4-yl)ethynyl]benzo[1,2,3-de:4,5,6-d'e']diquinoline-1,7-dicarbonitrile](/api/spectrum/3oT8MmdWGO/structure.png?h=300&w=458 "2,8-Bis[(1-hexyl-1H-pyrazol-4-yl)ethynyl]benzo[1,2,3-de:4,5,6-d'e']diquinoline-1,7-dicarbonitrile")
