| SpectraBase Spectrum ID |
9UztzwohrQj |
| Name |
5-Chloro-4,4-difluoro-3-(phenylethynyl)-8-(4-tolyl)-4-bora-3a,4a-diaza-s-indacene |
| Alternate Name(s) |
4-Chloro-2,2-difluoro-8-(4-methylphenyl)-12-(2-phenylethynyl)-1,3-diaza-2-boratricyclo[7.3.0.0(3,7)]dodeca-1(12),4,6,8,10-pentaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H16BClF2N2 |
| InChI |
InChI=1S/C24H16BClF2N2/c1-17-7-10-19(11-8-17)24-21-14-13-20(12-9-18-5-3-2-4-6-18)29(21)25(27,28)30-22(24)15-16-23(30)26/h2-8,10-11,13-16H,1H3 |
| InChIKey |
NYRDYLLGRJWGGX-UHFFFAOYSA-N |
| Molecular Weight |
416.666 g/mol |
| SMILES |
c12[n]([B]([N]=3C(=C2c2ccc(cc2)C)C=CC3C#Cc2ccccc2)(F)F)c(cc1)Cl |
| SPLASH |
splash10-014i-0052900000-b38f2099d6f4cdb0aaf7 |
| Source of Spectrum |
K1-0-4661-2 |
| Wiley ID |
1589678 |
