| SpectraBase Compound ID | 828xbZ0KB99 |
|---|---|
| InChI | InChI=1S/C21H29N4O11PS/c1-9-6-24-14-4-10(27)13(35-14)8-33-37(31,32)36-11-5-15(34-12(11)7-26)25-16-20(2,17(28)22-18(25)29)38-21(9,16)23(3)19(24)30/h6,10-16,26-27H,4-5,7-8H2,1-3H3,(H,31,32)(H,22,28,29)/t10-,11-,12+,13+,14+,15+,16+,20+,21?/m1/s1 |
| InChIKey | HITKOXMPEMJQTL-NQNIKTDCSA-N |
| Mol Weight | 576.51 g/mol |
| Molecular Formula | C21H29N4O11PS |
| Exact Mass | 576.129116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ItJV0cjiz3w |
|---|---|
| Name | HITKOXMPEMJQTL-NQNIKTDCSA-N |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28N4O11PS |
| InChI | InChI=1S/C21H29N4O11PS/c1-9-6-24-14-4-10(27)13(35-14)8-33-37(31,32)36-11-5-15(34-12(11)7-26)25-16-20(2,17(28)22-18(25)29)38-21(9,16)23(3)19(24)30/h6,10-16,26-27H,4-5,7-8H2,1-3H3,(H,31,32)(H,22,28,29)/t10-,11-,12+,13+,14+,15+,16+,20+,21?/m1/s1 |
| InChIKey | HITKOXMPEMJQTL-NQNIKTDCSA-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 |
| Molecular Weight | 575.507 g/mol |
| Solvent | D2O |
| Source File Reference | UWCP7489 |