| SpectraBase Compound ID | 37F6qAzDvB6 |
|---|---|
| InChI | InChI=1S/C19H23BrN2O9S/c1-3-29-19-21-17(26)12(20)8-22(19)18-16(25)15(24)14(23)13(31-18)9-30-32(27,28)11-6-4-10(2)5-7-11/h4-8,13-16,18,23-25H,3,9H2,1-2H3/t13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | DCCHLVHADFOAIY-RPUYLAQPSA-N |
| Mol Weight | 535.36 g/mol |
| Molecular Formula | C19H23BrN2O9S |
| Exact Mass | 534.030764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOz8Am97Gff |
|---|---|
| Name | 1-(6-O-PARA-TOLYL-SULFONYL-BETA-D-GLUCOPYRANOSYL)-5-BROMO-2-ETHOXY-PYRIMIDIN-4-(1H)-ONE |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H23BrN2O9S |
| InChI | InChI=1S/C19H23BrN2O9S/c1-3-29-19-21-17(26)12(20)8-22(19)18-16(25)15(24)14(23)13(31-18)9-30-32(27,28)11-6-4-10(2)5-7-11/h4-8,13-16,18,23-25H,3,9H2,1-2H3/t13-,14-,15+,16-,18-/m0/s1 |
| InChIKey | DCCHLVHADFOAIY-RPUYLAQPSA-N |
| Literature Reference Author | A.A.H.ABDEL-RAHMAN |
| Literature Reference Citation | MH.CHEM.,134,929(2003) |
| Literature Reference DOI | 10.1007/s00706-002-0575-7 |
| Molecular Weight | 535.364 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP5292 |