| SpectraBase Spectrum ID |
XOkZFrMQqM |
| Name |
N1,N3-bis((tert-butylcarbamoyl)(4-chlorophenyl)methyl)-N1,N3-bis(4-chlorophenyl)-2-cyclopentylmalonamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H46Cl4N4O4 |
| InChI |
InChI=1S/C44H46Cl4N4O4/c1-43(2,3)49-39(53)37(28-11-15-30(45)16-12-28)51(34-23-19-32(47)20-24-34)41(55)36(27-9-7-8-10-27)42(56)52(35-25-21-33(48)22-26-35)38(40(54)50-44(4,5)6)29-13-17-31(46)18-14-29/h11-26,37-38H,7-10H2,1-6H3,(H,49,53)(H,50,54) |
| InChIKey |
QUJKJYVFTNCNSX-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies HP-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.jscs.2015.07.008 |
| Molecular Weight |
836.688 g/mol |
| SMILES |
N(C(C(N(C(C(C(N(C(C(NC(C)(C)C)=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl)=O)=C1CCCC1)=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl)=O)C(C)(C)C |
| SPLASH |
splash10-0nml-8662900000-8b36db297bed8cb388e8 |
| Source of Spectrum |
SCS-21-302-8e |
| Wiley ID |
1857622 |
