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SSRCMUDUJSEZAX-MBERGMLDSA-M
SpectraBase Compound ID JQDRuYqd9R0
InChI InChI=1S/C39H40N3O9PS.Na/c1-46-31-18-14-29(15-19-31)39(28-12-8-5-9-13-28,30-16-20-32(47-2)21-17-30)49-26-34-33(51-52(3,45)53)24-36(50-34)42-23-22-35(40-37(42)43)41-38(44)48-25-27-10-6-4-7-11-27;/h4-23,33-34,36H,24-26H2,1-3H3,(H,45,53)(H,40,41,43,44);/q;+1/p-1/t33-,34+,36+,52?;/m1./s1
InChIKey SSRCMUDUJSEZAX-MBERGMLDSA-M
Mol Weight 779.8 g/mol
Molecular Formula C39H39N3NaO9PS
Exact Mass 779.204232 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjMYx7aTjFI
Name SSRCMUDUJSEZAX-MBERGMLDSA-M
Compound Number FAST_SP-6-(B=C_BZ)-SODIUM_SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H39N3NaO9PS
InChI InChI=1S/C39H40N3O9PS.Na/c1-46-31-18-14-29(15-19-31)39(28-12-8-5-9-13-28,30-16-20-32(47-2)21-17-30)49-26-34-33(51-52(3,45)53)24-36(50-34)42-23-22-35(40-37(42)43)41-38(44)48-25-27-10-6-4-7-11-27;/h4-23,33-34,36H,24-26H2,1-3H3,(H,45,53)(H,40,41,43,44);/q;+1/p-1/t33-,34+,36+,52?;/m1./s1
InChIKey SSRCMUDUJSEZAX-MBERGMLDSA-M
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 DMF:C6D6
Source File Reference UWMZ27162