| SpectraBase Spectrum ID |
17TqXqfKrce |
| Name |
4-[6-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-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 |
C42H41BF2N2O3 |
| InChI |
InChI=1S/C42H41BF2N2O3/c1-41(2,3)33-15-23-37(24-16-33)47(38-25-17-34(18-26-38)42(4,5)6)36-21-11-30(12-22-36)29-7-9-31(10-8-29)39-27-28-46(43(44,45)50-39)35-19-13-32(14-20-35)40(48)49/h7-28H,1-6H3,(H,48,49) |
| InChIKey |
OQUKLZDWKJJYIV-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/asia.202000448 |
| Molecular Weight |
670.608 g/mol |
| SMILES |
OC(c1ccc(N2C=CC(c3ccc(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)=[O+][B-]2(F)F)cc1)=O |
| SPLASH |
splash10-05fr-0000009000-2006d74c9747e44b61c2 |
| Source of Spectrum |
CAJ-15-SM32-D2 |
| Wiley ID |
1839698 |
![4-[6-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclohexa-4,6-dien-3-yl]benzoic acid](/api/spectrum/17TqXqfKrce/structure.png?h=300&w=458 "4-[6-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-2,2-difluoro-1-oxonia-3-aza-2-boranuidacyclohexa-4,6-dien-3-yl]benzoic acid")
