| SpectraBase Compound ID | DP89WxndZNm |
|---|---|
| InChI | InChI=1S/C16H9ClN4O4/c17-16-18-14(10-1-5-12(6-2-10)20(22)23)9-15(19-16)11-3-7-13(8-4-11)21(24)25/h1-9H |
| InChIKey | QTGORKLYCJJTQY-UHFFFAOYSA-N |
| Mol Weight | 356.73 g/mol |
| Molecular Formula | C16H9ClN4O4 |
| Exact Mass | 356.031232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9T1TonE1sY |
|---|---|
| Name | 2-Chloro-4,6-bis(4-nitrophenyl)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.031232482 u |
| Formula | C16H9ClN4O4 |
| InChI | InChI=1S/C16H9ClN4O4/c17-16-18-14(10-1-5-12(6-2-10)20(22)23)9-15(19-16)11-3-7-13(8-4-11)21(24)25/h1-9H |
| InChIKey | QTGORKLYCJJTQY-UHFFFAOYSA-N |
| Molecular Weight | 356.725 g/mol |
| SMILES | C1(=NC(=CC(=N1)C1=CC=C(C=C1)N(=O)=O)C1=CC=C(C=C1)N(=O)=O)Cl |