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THIOBINUPHARIDINE, IODOMETHYLATE (ISOMER 2)
SpectraBase Compound ID FwZGX0nJUIN
InChI InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-30(12-8-26(22)32)18-31(36-21-30)13-9-28-23(2)5-7-29(33(28,3)20-31)25-11-15-35-17-25;/h10-11,14-17,22-23,26-29H,4-9,12-13,18-21H2,1-3H3;1H/q+1;/p-1/t22-,23-,26+,27+,28+,29+,30?,31-,33-;/m0./s1
InChIKey DUAOEFLCZDCWIN-PPIPHURQSA-M
Mol Weight 636.7 g/mol
Molecular Formula C31H45IN2O2S
Exact Mass 636.224645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXqwxFUhW5h
Name THIOBINUPHARIDINE, IODOMETHYLATE (ISOMER 2)
Comments 9.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H45IN2O2S
InChI InChI=1S/C31H45N2O2S.HI/c1-22-4-6-27(24-10-14-34-16-24)32-19-30(12-8-26(22)32)18-31(36-21-30)13-9-28-23(2)5-7-29(33(28,3)20-31)25-11-15-35-17-25;/h10-11,14-17,22-23,26-29H,4-9,12-13,18-21H2,1-3H3;1H/q+1;/p-1/t22-,23-,26+,27+,28+,29+,30?,31-,33-;/m0./s1
InChIKey DUAOEFLCZDCWIN-PPIPHURQSA-M
Instrument Name Varian CFT-20
Literature Reference JACEK CYBULSKI, JANUSZ JURCZAK, KRYSTYNA WOJTASIEWICZ, JERZY T. WROBEL (1982)Bull. Polish Acad. Sci. (Chemistry): v.30, N1, 31-36.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d