| SpectraBase Spectrum ID |
4TWzARzS9Qx |
| Name |
N1,N3-bis((tert-butylcarbamoyl)(4-methoxyphenyl)methyl)-N1,N3-bis(4-chlorophenyl)-2-cyclopentylmalonamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H52Cl2N4O6 |
| InChI |
InChI=1S/C46H52Cl2N4O6/c1-45(2,3)49-41(53)39(30-13-25-36(57-7)26-14-30)51(34-21-17-32(47)18-22-34)43(55)38(29-11-9-10-12-29)44(56)52(35-23-19-33(48)20-24-35)40(42(54)50-46(4,5)6)31-15-27-37(58-8)28-16-31/h13-28,39-40H,9-12H2,1-8H3,(H,49,53)(H,50,54) |
| InChIKey |
VYAZESBHFAWRDW-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies HP-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.jscs.2015.07.008 |
| Molecular Weight |
827.850 g/mol |
| SMILES |
N(C(C(N(C(C(C(N(C(C(NC(C)(C)C)=O)c1ccc(cc1)OC)c1ccc(cc1)Cl)=O)=C1CCCC1)=O)c1ccc(cc1)Cl)c1ccc(cc1)OC)=O)C(C)(C)C |
| SPLASH |
splash10-0ab9-9410000000-284aee76fceaf3dabe71 |
| Source of Spectrum |
SCS-21-302-8f |
| Wiley ID |
1857623 |
