![Ethyl 3-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate #](/api/spectrum/Iz5gZNZhD5V/structure.png?h=300&w=458 "Ethyl 3-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]propanoate #")
| SpectraBase Compound ID | LIpZCgriVFJ |
|---|---|
| InChI | InChI=1S/C10H14N2O3S/c1-3-15-9(14)4-5-16-10-11-7(2)6-8(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13) |
| InChIKey | XGFBDGRYJSYMSF-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 | Iz5gZNZhD5V |
|---|---|
| Name | Ethyl 3-[(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/c1-3-15-9(14)4-5-16-10-11-7(2)6-8(13)12-10/h6H,3-5H2,1-2H3,(H,11,12,13) |
| InChIKey | XGFBDGRYJSYMSF-UHFFFAOYSA-N |
| Molecular Weight | 242.293 g/mol |
| SMILES | C1=C(N=C(NC1=O)SCCC(OCC)=O)C |