| SpectraBase Compound ID | 5Zpku8hjrSJ |
|---|---|
| InChI | InChI=1S/C17H21N7O8/c1-7-2-23(3-9(27)28)17(31)22-14(7)21-10-13(18)19-5-20-15(10)24(6-26)16-12(30)11(29)8(4-25)32-16/h2,5-6,8,11-12,16,25,29-30H,3-4H2,1H3,(H,27,28)(H2,18,19,20)(H,21,22,31) |
| InChIKey | XTNVWMRMFUHGHP-UHFFFAOYSA-N |
| Mol Weight | 451.4 g/mol |
| Molecular Formula | C17H21N7O8 |
| Exact Mass | 451.145161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdjrQzz43xR |
|---|---|
| Name | ISOMER_1 |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H21N7O8 |
| InChI | InChI=1S/C17H21N7O8/c1-7-2-23(3-9(27)28)17(31)22-14(7)21-10-13(18)19-5-20-15(10)24(6-26)16-12(30)11(29)8(4-25)32-16/h2,5-6,8,11-12,16,25,29-30H,3-4H2,1H3,(H,27,28)(H2,18,19,20)(H,21,22,31) |
| InChIKey | XTNVWMRMFUHGHP-UHFFFAOYSA-N |
| Literature Reference Author | C.SAINTOME,P.CLIVIO,A.FAVRE,J.L.FOURREY |
| Literature Reference Citation | J.ORG.CHEM.,62,8125(1997) |
| Literature Reference DOI | 10.1021/jo971162p |
| Molecular Weight | 451.396 g/mol |
| Solvent | D2O |