| SpectraBase Compound ID | Ex4qj1unaT6 |
|---|---|
| InChI | InChI=1S/2C19H22N2O6S/c2*1-19(2)26-14-12(9-28)25-17(15(14)27-19)21-8-11(16(23)20-18(21)24)13(22)10-6-4-3-5-7-10/h2*3-8,12-15,17,22,28H,9H2,1-2H3,(H,20,23,24)/t12-,13+,14-,15-,17-;12-,13-,14-,15-,17-/m00/s1 |
| InChIKey | CLKHLMUGZCJJEC-JKWOKUSLSA-N |
| Mol Weight | 812.91 g/mol |
| Molecular Formula | C38H44N4O12S2 |
| Exact Mass | 812.239715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlDSfkZHc0d |
|---|---|
| Name | 5-ALPHA/BETA-HYDROXYBENZYL-5'-DEOXY-2',3'-O-ISOPROPYLIDENE-5'-THIOURIDINE;MIXTURE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44N4O12S2 |
| InChI | InChI=1S/2C19H22N2O6S/c2*1-19(2)26-14-12(9-28)25-17(15(14)27-19)21-8-11(16(23)20-18(21)24)13(22)10-6-4-3-5-7-10/h2*3-8,12-15,17,22,28H,9H2,1-2H3,(H,20,23,24)/t12-,13+,14-,15-,17-;12-,13-,14-,15-,17-/m00/s1 |
| InChIKey | CLKHLMUGZCJJEC-JKWOKUSLSA-N |
| Literature Reference Author | E.V.VELEZ,C.DESNOUS,P.CLIVIO |
| Literature Reference Citation | J.HETCYCL.CHEM.,43,1095(2006) |
| Literature Reference DOI | 10.1002/jhet.5570430442 |
| Molecular Weight | 812.907 g/mol |
| Sample ID | 67707 |
| Solvent | CDCl3 |