| SpectraBase Compound ID | 6syNke0mDwm |
|---|---|
| InChI | InChI=1S/C42H45N2O9PS/c1-26-21-27(2)38(28(3)22-26)40(46)53-54(7,55)52-35-23-37(44-24-29(4)39(45)43-41(44)47)51-36(35)25-50-42(30-11-9-8-10-12-30,31-13-17-33(48-5)18-14-31)32-15-19-34(49-6)20-16-32/h8-22,24,35-37H,23,25H2,1-7H3,(H,43,45,47)/t35-,36+,37+,54?/m1/s1 |
| InChIKey | AYFXEDQMWOTKMS-FANRRYISSA-N |
| Mol Weight | 784.9 g/mol |
| Molecular Formula | C42H45N2O9PS |
| Exact Mass | 784.258339 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GB4mag5eQxq |
|---|---|
| Name | AYFXEDQMWOTKMS-FANRRYISSA-N |
| Compound Number | FAST_SP-7-(B=T) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H45N2O9PS |
| InChI | InChI=1S/C42H45N2O9PS/c1-26-21-27(2)38(28(3)22-26)40(46)53-54(7,55)52-35-23-37(44-24-29(4)39(45)43-41(44)47)51-36(35)25-50-42(30-11-9-8-10-12-30,31-13-17-33(48-5)18-14-31)32-15-19-34(49-6)20-16-32/h8-22,24,35-37H,23,25H2,1-7H3,(H,43,45,47)/t35-,36+,37+,54?/m1/s1 |
| InChIKey | AYFXEDQMWOTKMS-FANRRYISSA-N |
| Literature Reference Author | L.A.WOZNIAK,A.CHWOROS,J.PYZOWSKI,W.J.STEC |
| Literature Reference Citation | J.ORG.CHEM.,63,9109(1998) |
| Literature Reference DOI | 10.1021/jo981304v |
| Solvent | CDCl3 |
| Source File Reference | UWMZ27129 |