| SpectraBase Compound ID | Fyu3F0Wjwu4 |
|---|---|
| InChI | InChI=1S/C16H20N2O3S/c1-5-22-16-17-12(10(2)15(19)18-16)8-11-6-7-13(20-3)14(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,18,19) |
| InChIKey | XLWAJRMSOJTIQY-UHFFFAOYSA-N |
| Mol Weight | 320.41 g/mol |
| Molecular Formula | C16H20N2O3S |
| Exact Mass | 320.119464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LvVBbYFiv2 |
|---|---|
| Name | 2-(Ethylthio)-5-methyl-6-veratryl-1H-pyrimidin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.119463683 u |
| Formula | C16H20N2O3S |
| InChI | InChI=1S/C16H20N2O3S/c1-5-22-16-17-12(10(2)15(19)18-16)8-11-6-7-13(20-3)14(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,18,19) |
| InChIKey | XLWAJRMSOJTIQY-UHFFFAOYSA-N |
| Molecular Weight | 320.407 g/mol |
| SMILES | C1(NC(=NC(=C1C)CC=1C=C(OC)C(=CC1)OC)SCC)=O |