| SpectraBase Compound ID | 2FjXEiS2oa4 |
|---|---|
| InChI | InChI=1S/C15H16N2O5/c1-3-15(12(19)16-14(21)17-13(15)20)8-11(18)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,16,17,19,20,21) |
| InChIKey | WFHHXBBIZJUKBP-UHFFFAOYSA-N |
| Mol Weight | 304.3 g/mol |
| Molecular Formula | C15H16N2O5 |
| Exact Mass | 304.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1F2aLkNTRjv |
|---|---|
| Name | 5-Ethyl-5-(p-methoxyphenacyl)barbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.105921618 u |
| Formula | C15H16N2O5 |
| InChI | InChI=1S/C15H16N2O5/c1-3-15(12(19)16-14(21)17-13(15)20)8-11(18)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,16,17,19,20,21) |
| InChIKey | WFHHXBBIZJUKBP-UHFFFAOYSA-N |
| Molecular Weight | 304.302 g/mol |
| SMILES | N1C(NC(C(C1=O)(CC(C=1C=CC(=CC1)OC)=O)CC)=O)=O |