![Ethyl 2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate #](/api/spectrum/9E1DWJ9PhaY/structure.png?h=300&w=458 "Ethyl 2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate #")
| SpectraBase Compound ID | 4vHChvsqPsw |
|---|---|
| InChI | InChI=1S/C10H14N2O3S/c1-4-15-9(14)7(3)16-10-11-6(2)5-8(13)12-10/h5,7H,4H2,1-3H3,(H,11,12,13) |
| InChIKey | YISVKEAKIOIVFY-UHFFFAOYSA-N |
| Mol Weight | 242.29 g/mol |
| Molecular Formula | C10H14N2O3S |
| Exact Mass | 242.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9E1DWJ9PhaY |
|---|---|
| Name | Ethyl 2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate # |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.072513490 u |
| Formula | C10H14N2O3S |
| InChI | InChI=1S/C10H14N2O3S/c1-4-15-9(14)7(3)16-10-11-6(2)5-8(13)12-10/h5,7H,4H2,1-3H3,(H,11,12,13) |
| InChIKey | YISVKEAKIOIVFY-UHFFFAOYSA-N |
| Molecular Weight | 242.293 g/mol |
| SMILES | C1(=NC(=CC(N1)=O)C)SC(C(=O)OCC)C |