![1-[p-Nitrophenyl]-3-[2-pyrimidyl]urea](/api/spectrum/CwOfXB4izcd/structure.png?h=300&w=458 "1-[p-Nitrophenyl]-3-[2-pyrimidyl]urea")
| SpectraBase Compound ID | 75Aue73arU7 |
|---|---|
| InChI | InChI=1S/C11H9N5O3/c17-11(15-10-12-6-1-7-13-10)14-8-2-4-9(5-3-8)16(18)19/h1-7H,(H2,12,13,14,15,17) |
| InChIKey | JYGQCAJWWFNRCV-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C11H9N5O3 |
| Exact Mass | 259.070539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwOfXB4izcd |
|---|---|
| Name | 1-[p-Nitrophenyl]-3-[2-pyrimidyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.070539167 u |
| Formula | C11H9N5O3 |
| InChI | InChI=1S/C11H9N5O3/c17-11(15-10-12-6-1-7-13-10)14-8-2-4-9(5-3-8)16(18)19/h1-7H,(H2,12,13,14,15,17) |
| InChIKey | JYGQCAJWWFNRCV-UHFFFAOYSA-N |
| Molecular Weight | 259.225 g/mol |
| SMILES | C1=NC(=NC=C1)NC(=O)NC1=CC=C(C=C1)N(=O)=O |