| SpectraBase Compound ID | 4wHBC1DBGnL |
|---|---|
| InChI | InChI=1S/2C13H22N2O6S/c2*1-12(19)6-21-13(10(12)17,11(14)18)15-9(16)8-7(5-22-2)3-4-20-8/h2*7-8,10,17,19H,3-6H2,1-2H3,(H2,14,18)(H,15,16) |
| InChIKey | JOVNAMJVHDIKSE-UHFFFAOYSA-N |
| Mol Weight | 668.77 g/mol |
| Molecular Formula | C26H44N4O12S2 |
| Exact Mass | 668.239715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5v382OuDMT |
|---|---|
| Name | JOVNAMJVHDIKSE-UHFFFAOYSA-N |
| Compound Number | 13C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H44N4O12S2 |
| InChI | InChI=1S/2C13H22N2O6S/c2*1-12(19)6-21-13(10(12)17,11(14)18)15-9(16)8-7(5-22-2)3-4-20-8/h2*7-8,10,17,19H,3-6H2,1-2H3,(H2,14,18)(H,15,16) |
| InChIKey | JOVNAMJVHDIKSE-UHFFFAOYSA-N |
| Literature Reference Author | S.ABUZAR,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3114(1990) |
| Literature Reference DOI | 10.1021/ja00164a036 |
| Molecular Weight | 668.775 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6602 |