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SODIUM-SALT
SpectraBase Compound ID 5VAIP2aOJJQ
InChI InChI=1S/C42H31O5P.Na/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22;/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46);/q;+2/p-2/t21-,22+,23+,24-,33-,34+,35+,36-;
InChIKey FEZACJKYCMMCHW-ACWHRDKHSA-L
Mol Weight 667.7 g/mol
Molecular Formula C42H29NaO5P
Exact Mass 667.16503 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGbAs0xtmq4
Name SODIUM-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H29NaO5P
InChI InChI=1S/C42H31O5P.Na/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22;/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46);/q;+2/p-2/t21-,22+,23+,24-,33-,34+,35+,36-;
InChIKey FEZACJKYCMMCHW-ACWHRDKHSA-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
Solvent D2O
Source File Reference UWBT20610