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DILASALOCID_BARIUM_SALT
SpectraBase Compound ID LpqIzcRF0hb
InChI InChI=1S/2C34H54O8.Ba/c2*1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h2*13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;;+2/p-2/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;19-,21-,22+,23-,25+,26?,28+,31-,33+,34-;/m01./s1
InChIKey FMHIFJQFOMNBOK-LTSGRGKKSA-L
Mol Weight 1316.9 g/mol
Molecular Formula C68H106BaO16
Exact Mass 1316.653334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAVnLNT3u6i
Name LASALOCID-BARIUM-SALT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/2C34H54O8.Ba/c2*1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h2*13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;;+2/p-2/t19-,21+,22+,23-,25+,26?,28+,31+,33+,34+;19-,21-,22+,23-,25+,26?,28+,31-,33+,34-;/m01./s1
InChIKey FMHIFJQFOMNBOK-LTSGRGKKSA-L
Literature Reference R.LYAZGHI,Y.POINTUD,G.DAUPHIN,J.JUILLARD J.CHEM.SOC.PERKIN-2,1681(1993)
Solvent Chloroform-d
Technique SELECTIVE DECOUPLING; C/H SHIFT CORRELATION