SpectraBase Compound ID | 6syNke0mDwm |
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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 |
SpectraBase Spectrum ID | HN7TYV4M076 |
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Name | AYFXEDQMWOTKMS-FANRRYISSA-N |
Compound Number | SLOW_RP-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 | UWMZ27125 |