| SpectraBase Spectrum ID |
LMb6CrJEgv8 |
| Name |
N1,N3-bis((tert-butylcarbamoyl)(4-nitrophenyl)methyl)-N1,N3-bis(4-chlorophenyl)-2-cyclopentylmalonamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H46Cl2N6O8 |
| InChI |
InChI=1S/C44H46Cl2N6O8/c1-43(2,3)47-39(53)37(28-11-19-34(20-12-28)51(57)58)49(32-23-15-30(45)16-24-32)41(55)36(27-9-7-8-10-27)42(56)50(33-25-17-31(46)18-26-33)38(40(54)48-44(4,5)6)29-13-21-35(22-14-29)52(59)60/h11-26,37-38H,7-10H2,1-6H3,(H,47,53)(H,48,54) |
| InChIKey |
DYWXXSQJKFKLEH-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies HP-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.jscs.2015.07.008 |
| Molecular Weight |
857.792 g/mol |
| SMILES |
N(C(C(N(C(C(C(N(C(C(NC(C)(C)C)=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl)=O)=C1CCCC1)=O)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-])=O)C(C)(C)C |
| SPLASH |
splash10-08mi-6392400000-c9c2ca83463752ae7a52 |
| Source of Spectrum |
SCS-21-302-8h |
| Wiley ID |
1857624 |
