| SpectraBase Spectrum ID |
19fPyrhkhlj |
| Name |
3-cyano-1,1-difluoro-2-{[4-(piperidin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide |
| Appearance |
Green powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20BF2N5 |
| InChI |
InChI=1S/C22H20BF2N5/c24-23(25)29-20-7-3-2-6-17(20)8-13-21(29)22(16-26)30(23)27-18-9-11-19(12-10-18)28-14-4-1-5-15-28/h2-3,6-13H,1,4-5,14-15H2 |
| InChIKey |
LOFJGZPRDFDXNL-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010Plus |
| Ionization Type |
EI |
| Molecular Weight |
403.244 g/mol |
| SMILES |
c1(N=[N+]2[B-](F)(F)N3C(=C2C#N)C=Cc2c3cccc2)ccc(cc1)N1CCCCC1 |
| SPLASH |
splash10-05fr-6290000000-387bb567f98b763615f4 |
| Sample Comments |
dr = 98:2 (trans/Cis) |
| Source of Spectrum |
WO2015031518A1 |
| Wiley ID |
1850535 |
![3-cyano-1,1-difluoro-2-{[4-(piperidin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide](/api/spectrum/19fPyrhkhlj/structure.png?h=300&w=458 "3-cyano-1,1-difluoro-2-{[4-(piperidin-1-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide")
