![trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylsulfinyl)methyl]sulfinyl}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide, dihydrate](/api/spectrum/7wK7zjzkGZT/structure.png?h=300&w=458 "trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylsulfinyl)methyl]sulfinyl}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide, dihydrate")
| SpectraBase Compound ID | 3LU8BvLrpgv |
|---|---|
| InChI | InChI=1S/C13H19N3O6S2.2H2O/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21;;/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20);2*1H2/b4-3+;; |
| InChIKey | GNYKJFSKAHBIMP-CZEFNJPISA-N |
| Mol Weight | 413.46 g/mol |
| Molecular Formula | C13H23N3O8S2 |
| Exact Mass | 413.092657 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wK7zjzkGZT |
|---|---|
| Name | trans-(+\-)-2,4-dioxo-N-{1-(hydroxymethyl)-2-{[(methylsulfinyl)methyl]sulfinyl}ethyl}-6-methyl-1,2,3,4-tetrahydro-5-pyrimidineacrylamide, dihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H23N3O8S2 |
| InChI | InChI=1S/C13H19N3O6S2.2H2O/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21;;/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20);2*1H2/b4-3+;; |
| InChIKey | GNYKJFSKAHBIMP-CZEFNJPISA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28793M |
| Solvent | Polysol |