| SpectraBase Compound ID | D0IYCpEzcAP |
|---|---|
| InChI | InChI=1S/C13H13F6N2O6P/c1-5-3-21(11(23)20-9(5)22)8-2-6-7(25-8)4-24-28(26-6)27-10(12(14,15)16)13(17,18)19/h3,6-8,10H,2,4H2,1H3,(H,20,22,23)/t6-,7+,8+,28?/m1/s1 |
| InChIKey | GRCDOIISEBUFSG-RRAIJSQTSA-N |
| Mol Weight | 438.22 g/mol |
| Molecular Formula | C13H13F6N2O6P |
| Exact Mass | 438.041542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lf9TyZlpEl6 |
|---|---|
| Name | GRCDOIISEBUFSG-RRAIJSQTSA-N |
| Compound Number | 9-CIS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H13F6N2O6P |
| InChI | InChI=1S/C13H13F6N2O6P/c1-5-3-21(11(23)20-9(5)22)8-2-6-7(25-8)4-24-28(26-6)27-10(12(14,15)16)13(17,18)19/h3,6-8,10H,2,4H2,1H3,(H,20,22,23)/t6-,7+,8+,28?/m1/s1 |
| InChIKey | GRCDOIISEBUFSG-RRAIJSQTSA-N |
| Literature Reference Author | J.H.YU,A.M.ARIF,W.G.BENTRUDE |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,7451(1990) |
| Literature Reference DOI | 10.1021/ja00177a002 |
| Molecular Weight | 438.220 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWRU6842 |