![4-{2-[4-({2-[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazino}carbonyl)benzoyl]hydrazino}-N-(2,5-dimethylphenyl)-4-oxobutanamide](/api/spectrum/BqdwYIOej1P/structure.png?h=300&w=458 "4-{2-[4-({2-[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazino}carbonyl)benzoyl]hydrazino}-N-(2,5-dimethylphenyl)-4-oxobutanamide")
| SpectraBase Compound ID | FnFs48gks29 |
|---|---|
| InChI | InChI=1S/C32H36N6O6/c1-19-5-7-21(3)25(17-19)33-27(39)13-15-29(41)35-37-31(43)23-9-11-24(12-10-23)32(44)38-36-30(42)16-14-28(40)34-26-18-20(2)6-8-22(26)4/h5-12,17-18H,13-16H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H,38,44) |
| InChIKey | ILKATMKEIIDEKW-UHFFFAOYSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C32H36N6O6 |
| Exact Mass | 600.269633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BqdwYIOej1P |
|---|---|
| Name | 4-{2-[4-({2-[4-(2,5-Dimethylanilino)-4-oxobutanoyl]hydrazino}carbonyl)benzoyl]hydrazino}-N-(2,5-dimethylphenyl)-4-oxobutanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 600.269632897 u |
| Formula | C32H36N6O6 |
| InChI | InChI=1S/C32H36N6O6/c1-19-5-7-21(3)25(17-19)33-27(39)13-15-29(41)35-37-31(43)23-9-11-24(12-10-23)32(44)38-36-30(42)16-14-28(40)34-26-18-20(2)6-8-22(26)4/h5-12,17-18H,13-16H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H,38,44) |
| InChIKey | ILKATMKEIIDEKW-UHFFFAOYSA-N |
| Molecular Weight | 600.676 g/mol |
| SMILES | N(C(C1=CC=C(C(NNC(CCC(=O)NC2=C(C=CC(=C2)C)C)=O)=O)C=C1)=O)NC(CCC(=O)NC1=CC(=CC=C1C)C)=O |