| SpectraBase Compound ID | IRPNTMC41Wx |
|---|---|
| InChI | InChI=1S/C8H14N4O11P2/c9-7(15)3-1-12(11-10-3)8-6(14)5(13)4(22-8)2-21-25(19,20)23-24(16,17)18/h1,4-6,8,13-14H,2H2,(H2,9,15)(H,19,20)(H2,16,17,18)/p-3/t4-,5-,6-,8-/m1/s1 |
| InChIKey | MXNRPEGBFYIXKS-UAKXSSHOSA-K |
| Mol Weight | 401.14 g/mol |
| Molecular Formula | C8H11N4O11P2 |
| Exact Mass | 400.989956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaMmBrn9kVh |
|---|---|
| Name | 1-(BETA-D-RIBOFURANOSYL)-(1H)-1,2,3-TRIAZOLE-4-CARBOXAMIDE-5'-DIPHOSPHATE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H11N4O11P2 |
| InChI | InChI=1S/C8H14N4O11P2/c9-7(15)3-1-12(11-10-3)8-6(14)5(13)4(22-8)2-21-25(19,20)23-24(16,17)18/h1,4-6,8,13-14H,2H2,(H2,9,15)(H,19,20)(H2,16,17,18)/p-3/t4-,5-,6-,8-/m1/s1 |
| InChIKey | MXNRPEGBFYIXKS-UAKXSSHOSA-K |
| Literature Reference Author | W.WU,D.E.BREGSTROM,V.J.DAVISSON |
| Literature Reference Citation | J.ORG.CHEM.,68,3860(2003) |
| Literature Reference DOI | 10.1021/jo020745i |
| Molecular Weight | 401.143 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU23212 |