| SpectraBase Spectrum ID |
JBb0hd1ThfA |
| Name |
7,7-Bis{4,4'-[bis(N-4-tert-butylbenzoyl)amino]-3,5-dimethylphenyl}bicyclo[2.2.1]heptane |
| Alternate Name(s) |
4-tert-butyl-N-[4-(7-{4-[(4-tert-butylbenzoyl)amino]-3,5-dimethylphenyl}bicyclo[2.2.1]hept-7-yl)-2,6-dimethylphenyl]benzamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H54N2O2 |
| InChI |
InChI=1S/C45H54N2O2/c1-27-23-37(24-28(2)39(27)46-41(48)31-11-15-33(16-12-31)43(5,6)7)45(35-19-20-36(45)22-21-35)38-25-29(3)40(30(4)26-38)47-42(49)32-13-17-34(18-14-32)44(8,9)10/h11-18,23-26,35-36H,19-22H2,1-10H3,(H,46,48)(H,47,49)/t35-,36+ |
| InChIKey |
XDSMYFFIYPHXEA-TYHGNQNSSA-N |
| Molecular Weight |
654.939 g/mol |
| SMILES |
N(c1c(cc(C2(c3cc(c(NC(c4ccc(C(C)(C)C)cc4)=O)c(c3)C)C)[C@]3(CC[C@@]2(CC3)[H])[H])cc1C)C)C(c1ccc(C(C)(C)C)cc1)=O |
| SPLASH |
splash10-03di-0900002000-816aa4626b6112509bbd |
| Source of Spectrum |
QE-7-1174-4 |
| Wiley ID |
845452 |
![7,7-Bis{4,4'-[bis(N-4-tert-butylbenzoyl)amino]-3,5-dimethylphenyl}bicyclo[2.2.1]heptane](/api/spectrum/JBb0hd1ThfA/structure.png?h=300&w=458 "7,7-Bis{4,4'-[bis(N-4-tert-butylbenzoyl)amino]-3,5-dimethylphenyl}bicyclo[2.2.1]heptane")
