| SpectraBase Compound ID | 1NBqlQ0QASc |
|---|---|
| InChI | InChI=1S/C22H29N10O8P/c23-19-17-21(27-7-25-19)31(9-29-17)3-11-1-13(34)16(39-11)6-37-41(35,36)40-14-2-12(38-15(14)5-33)4-32-10-30-18-20(24)26-8-28-22(18)32/h7-16,33-34H,1-6H2,(H,35,36)(H2,23,25,27)(H2,24,26,28)/t11-,12-,13+,14+,15-,16-/m1/s1 |
| InChIKey | LULUPEFKYXQFHD-OWDFPOFWSA-N |
| Mol Weight | 592.51 g/mol |
| Molecular Formula | C22H29N10O8P |
| Exact Mass | 592.190745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcRNSl5G7p7 |
|---|---|
| Name | LULUPEFKYXQFHD-OWDFPOFWSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N10O8P |
| InChI | InChI=1S/C22H29N10O8P/c23-19-17-21(27-7-25-19)31(9-29-17)3-11-1-13(34)16(39-11)6-37-41(35,36)40-14-2-12(38-15(14)5-33)4-32-10-30-18-20(24)26-8-28-22(18)32/h7-16,33-34H,1-6H2,(H,35,36)(H2,23,25,27)(H2,24,26,28)/t11-,12-,13+,14+,15-,16-/m1/s1 |
| InChIKey | LULUPEFKYXQFHD-OWDFPOFWSA-N |
| Literature Reference Author | K.ISHIYAMA,G.E.SMYTH,T.UEDA,Y.MASUTOMI,T.OHGI,J.YANO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,7476(2004) |
| Literature Reference DOI | 10.1021/ja049865t |
| Molecular Weight | 591.500 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU36546 |