| SpectraBase Compound ID | 1DPc8j3IOxo |
|---|---|
| InChI | InChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20) |
| InChIKey | GOBHMMCUKZFUKP-UHFFFAOYSA-N |
| Mol Weight | 282.73 g/mol |
| Molecular Formula | C16H11ClN2O |
| Exact Mass | 282.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7y90Tgq3win |
|---|---|
| Name | 2-oxo-4-Phenyl-6-(4-chlorophenyl)-1,2-dihydropyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.055990681 u |
| Formula | C16H11ClN2O |
| InChI | InChI=1S/C16H11ClN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20) |
| InChIKey | GOBHMMCUKZFUKP-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1C=1C=C(NC(N1)=O)C1=CC=C(C=C1)Cl |