![4-(4-chloro-2-methylphenoxy)-N-[3-({[4-(4-chloro-2-methylphenoxy)butanoyl]amino}methyl)benzyl]butanamide](/api/spectrum/DeR49sAZ3JG/structure.png?h=300&w=458 "4-(4-chloro-2-methylphenoxy)-N-[3-({[4-(4-chloro-2-methylphenoxy)butanoyl]amino}methyl)benzyl]butanamide")
| SpectraBase Compound ID | 8tjiZPLGwpA |
|---|---|
| InChI | InChI=1S/C30H34Cl2N2O4/c1-21-16-25(31)10-12-27(21)37-14-4-8-29(35)33-19-23-6-3-7-24(18-23)20-34-30(36)9-5-15-38-28-13-11-26(32)17-22(28)2/h3,6-7,10-13,16-18H,4-5,8-9,14-15,19-20H2,1-2H3,(H,33,35)(H,34,36) |
| InChIKey | DHKXIULVXHOFLZ-UHFFFAOYSA-N |
| Mol Weight | 557.5 g/mol |
| Molecular Formula | C30H34Cl2N2O4 |
| Exact Mass | 556.189563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DeR49sAZ3JG |
|---|---|
| Name | 4-(4-Chloro-2-methylphenoxy)-N-[3-({[4-(4-chloro-2-methylphenoxy)butanoyl]amino}methyl)benzyl]butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 556.189562979 u |
| Formula | C30H34Cl2N2O4 |
| InChI | InChI=1S/C30H34Cl2N2O4/c1-21-16-25(31)10-12-27(21)37-14-4-8-29(35)33-19-23-6-3-7-24(18-23)20-34-30(36)9-5-15-38-28-13-11-26(32)17-22(28)2/h3,6-7,10-13,16-18H,4-5,8-9,14-15,19-20H2,1-2H3,(H,33,35)(H,34,36) |
| InChIKey | DHKXIULVXHOFLZ-UHFFFAOYSA-N |
| Molecular Weight | 557.518 g/mol |
| SMILES | N(C(CCCOC=1C(=CC(=CC1)Cl)C)=O)CC=1C=C(CNC(=O)CCCOC=2C(=CC(=CC2)Cl)C)C=CC1 |