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3T-METHYL-2R,6C-DIPHENYL-4-OXO-PIPERIDINIUM-NITRATE;MIXTURE

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3T-METHYL-2R,6C-DIPHENYL-4-OXO-PIPERIDINIUM-NITRATE;MIXTURE
SpectraBase Compound ID 1IAY9rbwu0
InChI InChI=1S/2C18H19NO.CH4O.2NO3/c2*1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15;1-2;2*2-1(3)4/h2*2-11,13,16,18-19H,12H2,1H3;2H,1H3;;/q;;;2*-1/p+2/t2*13-,16+,18-;;;/m00.../s1/i;;2D;;
InChIKey SJMYHBXBGIHRPY-DEHJGQHQSA-P
Mol Weight 689.784 g/mol
Molecular Formula C37H432HN4O9
Exact Mass 689.317106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0DVavYguw
Name 3T-METHYL-2R,6C-DIPHENYL-4-OXO-PIPERIDINIUM-NITRATE;MIXTURE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H432HN4O9
InChI InChI=1S/2C18H19NO.CH4O.2NO3/c2*1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15;1-2;2*2-1(3)4/h2*2-11,13,16,18-19H,12H2,1H3;2H,1H3;;/q;;;2*-1/p+2/t2*13-,16+,18-;;;/m00.../s1/i;;2D;;
InChIKey SJMYHBXBGIHRPY-DEHJGQHQSA-P
Literature Reference Author V.VIMALRAJ,K.PANDIARAJAN
Literature Reference Citation MAGN.RES.CHEM.,49,682(2011)
Literature Reference DOI 10.1002/mrc.2814
Molecular Weight 689.784 g/mol
Solvent CH3OD
Source File Reference UWBT13187