| SpectraBase Compound ID | 934LPRPGf6u |
|---|---|
| InChI | InChI=1S/C21H29N4O12P/c1-10-6-25-16-3-12(27)15(36-16)9-34-38(32,33)37-13-4-17(35-14(13)8-26)24-7-11(18(28)22-19(24)29)5-21(10,31)23(2)20(25)30/h6-7,12-17,26-27,31H,3-5,8-9H2,1-2H3,(H,32,33)(H,22,28,29)/t12-,13-,14+,15+,16+,17+,21+/m0/s1 |
| InChIKey | KXIJNKRRPKEMFB-MVUARXPKSA-N |
| Mol Weight | 560.45 g/mol |
| Molecular Formula | C21H29N4O12P |
| Exact Mass | 560.151959 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEyIMtSn7dO |
|---|---|
| Name | KXIJNKRRPKEMFB-MVUARXPKSA-N |
| Compound Number | 14A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28N4O12P |
| InChI | InChI=1S/C21H29N4O12P/c1-10-6-25-16-3-12(27)15(36-16)9-34-38(32,33)37-13-4-17(35-14(13)8-26)24-7-11(18(28)22-19(24)29)5-21(10,31)23(2)20(25)30/h6-7,12-17,26-27,31H,3-5,8-9H2,1-2H3,(H,32,33)(H,22,28,29)/t12-,13-,14+,15+,16+,17+,21+/m0/s1 |
| InChIKey | KXIJNKRRPKEMFB-MVUARXPKSA-N |
| Literature Reference Author | P.CLIVIO,J.L.FOURREY,T.SZABO,J.STAWINSKI |
| Literature Reference Citation | J.ORG.CHEM.,59,7273(1994) |
| Literature Reference DOI | 10.1021/jo00103a018 |
| Solvent | D2O |
| Source File Reference | UWCP7486 |