| SpectraBase Compound ID | 98ADmDSSPBM |
|---|---|
| InChI | InChI=1S/C12H11ClN2O3/c13-6-7-14-10(16)8-11(17)15(12(14)18)9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | ICJAFIUMJHZHTI-UHFFFAOYSA-N |
| Mol Weight | 266.68 g/mol |
| Molecular Formula | C12H11ClN2O3 |
| Exact Mass | 266.04582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 898ocEJbeFS |
|---|---|
| Name | 3-(2-Chloroethyl)-1-phenylbarbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.045819919 u |
| Formula | C12H11ClN2O3 |
| InChI | InChI=1S/C12H11ClN2O3/c13-6-7-14-10(16)8-11(17)15(12(14)18)9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | ICJAFIUMJHZHTI-UHFFFAOYSA-N |
| Molecular Weight | 266.684 g/mol |
| SMILES | C=1C(=CC=CC1)N1C(N(C(CC1=O)=O)CCCl)=O |