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(2RS,3RS)-(+/-)-4-DIMETHYLAMINO-3-METHYL-6-METHYLTHIO-1,2-DIPHENYL-2,3-DIHYDROPYRIDINIUM-IODIDE
SpectraBase Compound ID 5dXmiVbVCeZ
InChI InChI=1S/C21H25N2S.HI/c1-16-19(22(2)3)15-20(24-4)23(18-13-9-6-10-14-18)21(16)17-11-7-5-8-12-17;/h5-16,21H,1-4H3;1H/q+1;/p-1/t16-,21+;/m1./s1
InChIKey FILMHWBCVQPYNR-HNIQDJCDSA-M
Mol Weight 464.41 g/mol
Molecular Formula C21H25IN2S
Exact Mass 464.078315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEjIcIVKE3c
Name (2RS,3RS)-(+/-)-4-DIMETHYLAMINO-3-METHYL-6-METHYLTHIO-1,2-DIPHENYL-2,3-DIHYDROPYRIDINIUM-IODIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25IN2S
InChI InChI=1S/C21H25N2S.HI/c1-16-19(22(2)3)15-20(24-4)23(18-13-9-6-10-14-18)21(16)17-11-7-5-8-12-17;/h5-16,21H,1-4H3;1H/q+1;/p-1/t16-,21+;/m1./s1
InChIKey FILMHWBCVQPYNR-HNIQDJCDSA-M
Literature Reference Author R.WEIS,U.DIVORA,W.SEEBACHER,K.SCHWEIGER
Literature Reference Citation MH.CHEM.,126,1367(1995)
Literature Reference DOI 10.1007/BF00807066
Molecular Weight 464.407 g/mol
Solvent CDCl3
Source File Reference UWKA41