| SpectraBase Compound ID | AobdiMVX66U |
|---|---|
| InChI | InChI=1S/C12H12N2O4.H2O/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17;/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18);1H2 |
| InChIKey | MBYACWAYRFZUSS-UHFFFAOYSA-N |
| Mol Weight | 266.25 g/mol |
| Molecular Formula | C12H14N2O5 |
| Exact Mass | 266.090272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5rJ4DQPtZnv |
|---|---|
| Name | 5-Ethyl-5-(4-hydroxyphenyl)barbituric acid monohydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 195014 |
| CAS Registry Number | 80866-89-3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14N2O5 |
| InChI | InChI=1S/C12H12N2O4.H2O/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17;/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18);1H2 |
| InChIKey | MBYACWAYRFZUSS-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 99+% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_002718 |