| SpectraBase Spectrum ID |
RsZYNtX3qh |
| Name |
1,2-benzenedicarbonitrile, 4-[[4'-[4,5-dicyano-2-(hexahydro-1H-azepin-1-yl)phenoxy][1,1'-biphenyl]-4-yl]oxy]-5-(hexahydro-1H-azepin-1-yl)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
632.289974421 u |
| Formula |
C40H36N6O2 |
| InChI |
InChI=1S/C40H36N6O2/c41-25-31-21-37(45-17-5-1-2-6-18-45)39(23-33(31)27-43)47-35-13-9-29(10-14-35)30-11-15-36(16-12-30)48-40-24-34(28-44)32(26-42)22-38(40)46-19-7-3-4-8-20-46/h9-16,21-24H,1-8,17-20H2 |
| InChIKey |
LHXVRNLOUXPJDO-UHFFFAOYSA-N |
| Molecular Weight |
632.768 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12476 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10272405; Lab Info: AI; Lab Number: AI-S001374 |
![1,2-benzenedicarbonitrile, 4-[[4'-[4,5-dicyano-2-(hexahydro-1H-azepin-1-yl)phenoxy][1,1'-biphenyl]-4-yl]oxy]-5-(hexahydro-1H-azepin-1-yl)-](/api/spectrum/RsZYNtX3qh/structure.png?h=300&w=458 "1,2-benzenedicarbonitrile, 4-[[4'-[4,5-dicyano-2-(hexahydro-1H-azepin-1-yl)phenoxy][1,1'-biphenyl]-4-yl]oxy]-5-(hexahydro-1H-azepin-1-yl)-")
