| SpectraBase Compound ID | KkhW1YZJj1Y |
|---|---|
| InChI | InChI=1S/C20H27N4O11PS/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(34-15)8-32-36(31,37)35-12-4-16(33-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,37)(H,21,27,29)(H,22,28,30)/t11-,12+,13-,14+,15+,16-,36?/m1/s1 |
| InChIKey | BAYJGGZTPVYYDX-QOUFOPGESA-N |
| Mol Weight | 562.49 g/mol |
| Molecular Formula | C20H27N4O11PS |
| Exact Mass | 562.113466 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uai3dUr25h |
|---|---|
| Name | BAYJGGZTPVYYDX-QOUFOPGESA-N |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26N4O11PS |
| InChI | InChI=1S/C20H27N4O11PS/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(34-15)8-32-36(31,37)35-12-4-16(33-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,37)(H,21,27,29)(H,22,28,30)/t11-,12+,13-,14+,15+,16-,36?/m1/s1 |
| InChIKey | BAYJGGZTPVYYDX-QOUFOPGESA-N |
| Literature Reference Author | Y.JIN,G.JUST |
| Literature Reference Citation | J.ORG.CHEM.,63,3647(1998) |
| Literature Reference DOI | 10.1021/jo972318o |
| Solvent | D2O |
| Source File Reference | UWLU37277 |