![3,3-dimethyl-1-{[4-hydroxy-6-methyl-5-(2-methylallyl)-2-pyrimidinyl]thio}-2-butanone, o,o-diethyl phosphorothioate (ester)](/api/spectrum/2u1yx145vRa/structure.png?h=300&w=458 "3,3-dimethyl-1-{[4-hydroxy-6-methyl-5-(2-methylallyl)-2-pyrimidinyl]thio}-2-butanone, o,o-diethyl phosphorothioate (ester)")
| SpectraBase Compound ID | 4yJAabmR4Ji |
|---|---|
| InChI | InChI=1S/C19H31N2O4PS2/c1-9-23-26(27,24-10-2)25-17-15(11-13(3)4)14(5)20-18(21-17)28-12-16(22)19(6,7)8/h3,9-12H2,1-2,4-8H3 |
| InChIKey | AMSMHLBEKSIMNJ-UHFFFAOYSA-N |
| Mol Weight | 446.56 g/mol |
| Molecular Formula | C19H31N2O4PS2 |
| Exact Mass | 446.146287 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2u1yx145vRa |
|---|---|
| Name | 3,3-dimethyl-1-{[4-hydroxy-6-methyl-5-(2-methylallyl)-2-pyrimidinyl]thio}-2-butanone, o,o-diethyl phosphorothioate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H31N2O4PS2 |
| InChI | InChI=1S/C19H31N2O4PS2/c1-9-23-26(27,24-10-2)25-17-15(11-13(3)4)14(5)20-18(21-17)28-12-16(22)19(6,7)8/h3,9-12H2,1-2,4-8H3 |
| InChIKey | AMSMHLBEKSIMNJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46885M |
| Solvent | CDCl3 |