| SpectraBase Spectrum ID |
KumgqyEqWro |
| Name |
4-[6-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dihexyl-fluoren-2-yl]-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclohexa-4,6-dien-3-yl]benzoic acid |
| Appearance |
Red crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C55H65BF2N2O3 |
| InChI |
InChI=1S/C55H65BF2N2O3/c1-9-11-13-15-34-55(35-16-14-12-10-2)49-37-40(51-33-36-59(56(57,58)63-51)43-24-17-39(18-25-43)52(61)62)19-31-47(49)48-32-30-46(38-50(48)55)60(44-26-20-41(21-27-44)53(3,4)5)45-28-22-42(23-29-45)54(6,7)8/h17-33,36-38H,9-16,34-35H2,1-8H3,(H,61,62) |
| InChIKey |
VDRQLJFOBXVHKA-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202000448 |
| Molecular Weight |
850.943 g/mol |
| SMILES |
OC(c1ccc(N2C=CC(c3ccc4-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6)cc5C(c4c3)(CCCCCC)CCCCCC)=[O+][B-]2(F)F)cc1)=O |
| SPLASH |
splash10-0udi-0000001090-db65d4f302b3b22202c8 |
| Source of Spectrum |
CAJ-15-SM36-D4 |
| Wiley ID |
1839699 |
![4-[6-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dihexyl-fluoren-2-yl]-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclohexa-4,6-dien-3-yl]benzoic acid](/api/spectrum/KumgqyEqWro/structure.png?h=300&w=458 "4-[6-[7-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9,9-dihexyl-fluoren-2-yl]-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclohexa-4,6-dien-3-yl]benzoic acid")
