| SpectraBase Compound ID | 6j9QNA9qra8 |
|---|---|
| InChI | InChI=1S/C11H15N2O10PS.Na/c14-6-1-2-13(11(19)12-6)10-9(18)8(17)5(23-10)3-22-24(20,21)25-4-7(15)16;/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H,12,14,19);/q;+1/p-1/t5-,8-,9-,10-;/m0./s1 |
| InChIKey | DTCRZFHUGSGDGP-FAGBXVRMSA-M |
| Mol Weight | 420.26 g/mol |
| Molecular Formula | C11H14N2NaO10PS |
| Exact Mass | 420.000447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qlNXAztlFY |
|---|---|
| Name | DTCRZFHUGSGDGP-FAGBXVRMSA-M |
| Compound Number | SODIUM-SALT-OF-#5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H14N2NaO10PS |
| InChI | InChI=1S/C11H15N2O10PS.Na/c14-6-1-2-13(11(19)12-6)10-9(18)8(17)5(23-10)3-22-24(20,21)25-4-7(15)16;/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H,12,14,19);/q;+1/p-1/t5-,8-,9-,10-;/m0./s1 |
| InChIKey | DTCRZFHUGSGDGP-FAGBXVRMSA-M |
| Literature Reference Author | M.TRMCIC,D.R.W.HODGSON |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,732(2010) |
| Literature Reference DOI | 10.3762/bjoc.6.87 |
| Molecular Weight | 420.263 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT10330 |