| SpectraBase Compound ID | 7xRNxV7iWe4 |
|---|---|
| InChI | InChI=1S/C13H24N3O10PS/c1-6(17)13(27(24,25)26)28-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,13,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)(H2,24,25,26)/t6-,7+,8-,13+/m1/s1 |
| InChIKey | DENSBRKGDVVNKU-LJYOZPSBSA-N |
| Mol Weight | 445.38 g/mol |
| Molecular Formula | C13H24N3O10PS |
| Exact Mass | 445.092002 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kp71KJPJFzL |
|---|---|
| Name | DENSBRKGDVVNKU-LJYOZPSBSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H22N3O10PS |
| InChI | InChI=1S/C13H24N3O10PS/c1-6(17)13(27(24,25)26)28-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,13,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)(H2,24,25,26)/t6-,7+,8-,13+/m1/s1 |
| InChIKey | DENSBRKGDVVNKU-LJYOZPSBSA-N |
| Literature Reference Author | B.A.BERNAT,L.T.ALUGHLIN,R.N.ARMSTRONG |
| Literature Reference Citation | J.ORG.CHEM.,63,3778(1998) |
| Literature Reference DOI | 10.1021/jo980014b |
| Molecular Weight | 443.366 g/mol |
| Sample ID | 37368 |
| Solvent | D2O;PD=8.4 |