![1-(3,4-Dichlorophenyl)-3-[(3-pyridyl)methyl]urea](/api/spectrum/3a92CgfrF3f/structure.png?h=300&w=458 "1-(3,4-Dichlorophenyl)-3-[(3-pyridyl)methyl]urea")
| SpectraBase Compound ID | giOa0dfcFw |
|---|---|
| InChI | InChI=1S/C13H11Cl2N3O/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19) |
| InChIKey | GIZKRKBHSIQFND-UHFFFAOYSA-N |
| Mol Weight | 296.16 g/mol |
| Molecular Formula | C13H11Cl2N3O |
| Exact Mass | 295.027917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3a92CgfrF3f |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-3-[(3-pyridyl)methyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.027917385 u |
| Formula | C13H11Cl2N3O |
| InChI | InChI=1S/C13H11Cl2N3O/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19) |
| InChIKey | GIZKRKBHSIQFND-UHFFFAOYSA-N |
| Molecular Weight | 296.157 g/mol |
| SMILES | N(CC1=CN=CC=C1)C(NC=1C=C(C(=CC1)Cl)Cl)=O |