| SpectraBase Compound ID | 2W1egKM94Ij |
|---|---|
| InChI | InChI=1S/C12H11ClN2O2/c1-9(17-11-5-3-2-4-6-11)15-8-10(13)7-14-12(15)16/h2-9H,1H3 |
| InChIKey | ZMZBWKYRBSHBAN-UHFFFAOYSA-N |
| Mol Weight | 250.68 g/mol |
| Molecular Formula | C12H11ClN2O2 |
| Exact Mass | 250.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHZ7gDzCUB3 |
|---|---|
| Name | 2(1H)-Pyrimidinone, 5-chloro-1-(1-phenoxyethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.050905300 u |
| Formula | C12H11ClN2O2 |
| InChI | InChI=1S/C12H11ClN2O2/c1-9(17-11-5-3-2-4-6-11)15-8-10(13)7-14-12(15)16/h2-9H,1H3 |
| InChIKey | ZMZBWKYRBSHBAN-UHFFFAOYSA-N |
| Molecular Weight | 250.685 g/mol |
| SMILES | C1(N(C=C(C=N1)Cl)C(OC1=CC=CC=C1)C)=O |