| SpectraBase Compound ID | F8LYGRNTip6 |
|---|---|
| InChI | InChI=1S/C13H12N2O3S/c1-2-18-9-5-3-8(4-6-9)7-10-11(16)14-13(19)15-12(10)17/h3-7H,2H2,1H3,(H2,14,15,16,17,19) |
| InChIKey | NPSBKPIWIVUDJS-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C13H12N2O3S |
| Exact Mass | 276.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kGHEU5jDJy |
|---|---|
| Name | 5-(p-Ethoxybenzylidene)-2-thioberbituric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.056863425 u |
| Formula | C13H12N2O3S |
| InChI | InChI=1S/C13H12N2O3S/c1-2-18-9-5-3-8(4-6-9)7-10-11(16)14-13(19)15-12(10)17/h3-7H,2H2,1H3,(H2,14,15,16,17,19) |
| InChIKey | NPSBKPIWIVUDJS-UHFFFAOYSA-N |
| Molecular Weight | 276.310 g/mol |
| SMILES | N1C(NC(C(C1=O)=CC1=CC=C(C=C1)OCC)=O)=S |