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THIOBINUPHARIDINE, DIPROTONATED

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THIOBINUPHARIDINE, DIPROTONATED
SpectraBase Compound ID E4JXtCtwzB2
InChI InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/p+2/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChIKey WBMOHCBEBDKSBI-JYZUVFRYSA-P
Mol Weight 496.8 g/mol
Molecular Formula C30H44N2O2S
Exact Mass 496.31235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeuSJMM2NZE
Name THIOBINUPHARIDINE, DIPROTONATED
Comments ##
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Formula C30H44N2O2S
InChI InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/p+2/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChIKey WBMOHCBEBDKSBI-JYZUVFRYSA-P
Instrument Name Jeol FX-90
Literature Reference JACEK CYBULSKI, ANNA SCHOLL-ALEKSANDROWICZ, KRYSTYNA WOJTASIEWICZ, JERZY T.WROBEL (1984) Bull. Polish Acad. Sci. (Chemistry): v.32, N9, 339-348.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH/CDCl3