| SpectraBase Compound ID | 8o1SmHOUFpf |
|---|---|
| InChI | InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(20)16(12(11)17)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,20) |
| InChIKey | ZKULOCINMZKNTG-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C14H14N2O3S |
| Exact Mass | 290.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcBMBuGyp8p |
|---|---|
| Name | 3-Benzyl-4-oxo-1,2,3,4-tetrahydro-2-thioxo-5-pyrimidinecarboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.072513490 u |
| Formula | C14H14N2O3S |
| InChI | InChI=1S/C14H14N2O3S/c1-2-19-13(18)11-8-15-14(20)16(12(11)17)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,15,20) |
| InChIKey | ZKULOCINMZKNTG-UHFFFAOYSA-N |
| SMILES | N1C(N(C(C(=C1)C(=O)OCC)=O)CC=1C=CC=CC1)=S |