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SODIUM-SALT
SpectraBase Compound ID ChoZXLdirlu
InChI InChI=1S/C53H46N5O8P.Na/c54-53(55)58-52(60)44-10-9-43(57-44)51(59)56-11-12-64-13-14-65-49-45-39-21-41(37-19-33-29-15-27(31(33)17-35(37)39)23-5-1-3-7-25(23)29)47(45)50(66-67(61,62)63)48-42-22-40(46(48)49)36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28;/h1-10,17-20,27-30,39-42,57H,11-16,21-22H2,(H,56,59)(H2,61,62,63)(H4,54,55,58,60);/q;+2/p-2/t27-,28+,29+,30-,39-,40+,41+,42-;
InChIKey YZVBFXLLUPZHFI-ALRXWVQYSA-L
Mol Weight 932.9 g/mol
Molecular Formula C53H44N5NaO8P
Exact Mass 932.28252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du1sWQ3TRZg
Name SODIUM-SALT
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H44N5NaO8P
InChI InChI=1S/C53H46N5O8P.Na/c54-53(55)58-52(60)44-10-9-43(57-44)51(59)56-11-12-64-13-14-65-49-45-39-21-41(37-19-33-29-15-27(31(33)17-35(37)39)23-5-1-3-7-25(23)29)47(45)50(66-67(61,62)63)48-42-22-40(46(48)49)36-18-32-28-16-30(34(32)20-38(36)42)26-8-4-2-6-24(26)28;/h1-10,17-20,27-30,39-42,57H,11-16,21-22H2,(H,56,59)(H2,61,62,63)(H4,54,55,58,60);/q;+2/p-2/t27-,28+,29+,30-,39-,40+,41+,42-;
InChIKey YZVBFXLLUPZHFI-ALRXWVQYSA-L
Literature Reference Author T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1080(2013)
Literature Reference DOI 10.1002/ejoc.201201052
Molecular Weight 932.925 g/mol
Solvent DMSO-D6
Source File Reference UWBT20608