| SpectraBase Spectrum ID |
2DsWrbMOZc |
| Name |
3-cyano-1,1-difluoro-2-{[4-(morpholin-4-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 |
C21H18BF2N5O |
| InChI |
InChI=1S/C21H18BF2N5O/c23-22(24)28-19-4-2-1-3-16(19)5-10-20(28)21(15-25)29(22)26-17-6-8-18(9-7-17)27-11-13-30-14-12-27/h1-10H,11-14H2 |
| InChIKey |
XYPMDQNZCGJXDT-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010Plus |
| Ionization Type |
EI |
| Molecular Weight |
405.216 g/mol |
| SMILES |
c1(N=[N+]2[B-](F)(F)N3C(=C2C#N)C=Cc2c3cccc2)ccc(cc1)N1CCOCC1 |
| SPLASH |
splash10-0ab9-7290100000-20216f9ff148833a7484 |
| Sample Comments |
dr = 94:6 (trans/Cis) |
| Source of Spectrum |
WO2015031518A1 |
| Wiley ID |
1850537 |
![3-cyano-1,1-difluoro-2-{[4-(morpholin-4-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide](/api/spectrum/2DsWrbMOZc/structure.png?h=300&w=458 "3-cyano-1,1-difluoro-2-{[4-(morpholin-4-yl)phenyl]imino}-1H,2H-2l5-[1,3,2]diazaborolo[3,4-a]quinolin-2-ylium-1-uide")
