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(TRANS)-KALIHINOL-N

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(TRANS)-KALIHINOL-N
SpectraBase Compound ID IDj85Bkf5xb
InChI InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-7-9-20(3,25-13-29)14-6-10-21(4,24-12-26)18(27)17(14)15/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)/t14-,15-,16+,17-,18-,20-,21-,22+/m0/s1
InChIKey OTGGVCSATLYICT-KRXHPCMFSA-N
Mol Weight 443.0 g/mol
Molecular Formula C22H35ClN2O3S
Exact Mass 442.205692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VaeBRYqbHW
Name (TRANS)-KALIHINOL-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35ClN2O3S
InChI InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-7-9-20(3,25-13-29)14-6-10-21(4,24-12-26)18(27)17(14)15/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)/t14-,15-,16+,17-,18-,20-,21-,22+/m0/s1
InChIKey OTGGVCSATLYICT-KRXHPCMFSA-N
Literature Reference Author Y.XU,N.LI,W.H.JIAO,R.P.WANG,Y.PENG,S.H.QI,S.J.SONG,W.S.CHEN, H.W.LIN
Literature Reference Citation TETRAHEDRON,68,2876(2012)
Literature Reference DOI 10.1016/j.tet.2012.01.084
Molecular Weight 443.045 g/mol
Solvent C5D5N
Source File Reference UWBT14957