![5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-[(2-propynyl)thio]-4-pyrimidinol, dimethylcarbamate (ester)](/api/spectrum/BJD9bwwUIPs/structure.png?h=300&w=458 "5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-[(2-propynyl)thio]-4-pyrimidinol, dimethylcarbamate (ester)")
| SpectraBase Compound ID | 2j8unXMEPJ2 |
|---|---|
| InChI | InChI=1S/C18H17ClFN3O2S/c1-5-9-26-17-21-11(2)12(16(22-17)25-18(24)23(3)4)10-13-14(19)7-6-8-15(13)20/h1,6-8H,9-10H2,2-4H3 |
| InChIKey | DEXLNSYSVGQSMK-UHFFFAOYSA-N |
| Mol Weight | 393.86 g/mol |
| Molecular Formula | C18H17ClFN3O2S |
| Exact Mass | 393.071404 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJD9bwwUIPs |
|---|---|
| Name | 5-(2-chloro-6-fluorobenzyl)-6-methyl-2-[(2-propynyl)thio]-4-pyrimidinol, dimethylcarbamate (ester) |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17ClFN3O2S |
| InChI | InChI=1S/C18H17ClFN3O2S/c1-5-9-26-17-21-11(2)12(16(22-17)25-18(24)23(3)4)10-13-14(19)7-6-8-15(13)20/h1,6-8H,9-10H2,2-4H3 |
| InChIKey | DEXLNSYSVGQSMK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46758M |
| Solvent | CDCl3 |