| SpectraBase Compound ID | AkQ44PLYjIi |
|---|---|
| InChI | InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14)10(2)6(5)11/h4H,3H2,1-2H3,(H,9,14) |
| InChIKey | IYOAWKWLGAFZCQ-UHFFFAOYSA-N |
| Mol Weight | 214.24 g/mol |
| Molecular Formula | C8H10N2O3S |
| Exact Mass | 214.041213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYl1p2Z8mM0 |
|---|---|
| Name | 3-Methyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.041213361 u |
| Formula | C8H10N2O3S |
| InChI | InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14)10(2)6(5)11/h4H,3H2,1-2H3,(H,9,14) |
| InChIKey | IYOAWKWLGAFZCQ-UHFFFAOYSA-N |
| Molecular Weight | 214.239 g/mol |
| SMILES | C1(N(C(NC=C1C(=O)OCC)=S)C)=O |