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(1RS,2SR,3RS,6SR)-(+/-)-N,N-DIMETHYL-1-(3-METHYL-4-OXO-2,6-DIPHENYLCYCLOHEXYL)-PROPAN-1-IMINIUM-THIOCYANTE
SpectraBase Compound ID 1sAMJgxjVqt
InChI InChI=1S/C25H30N2OS/c1-5-22(27(3,4)29-17-26)25-21(19-12-8-6-9-13-19)16-23(28)18(2)24(25)20-14-10-7-11-15-20/h6-15,18,21,24-25H,5,16H2,1-4H3/t18-,21+,24-,25-/m0/s1
InChIKey ULRFRERXYJVQMM-UPSHQWCBSA-N
Mol Weight 406.59 g/mol
Molecular Formula C25H30N2OS
Exact Mass 406.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2R4wB0fczc
Name (1RS,2SR,3RS,6SR)-(+/-)-N,N-DIMETHYL-1-(3-METHYL-4-OXO-2,6-DIPHENYLCYCLOHEXYL)-PROPAN-1-IMINIUM-THIOCYANTE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30N2OS
InChI InChI=1S/C25H30N2OS/c1-5-22(27(3,4)29-17-26)25-21(19-12-8-6-9-13-19)16-23(28)18(2)24(25)20-14-10-7-11-15-20/h6-15,18,21,24-25H,5,16H2,1-4H3/t18-,21+,24-,25-/m0/s1
InChIKey ULRFRERXYJVQMM-UPSHQWCBSA-N
Literature Reference Author W.SEEBACHER,D.KROEPFL,F.BELAJ,R.SAF,A.HUEFNER,R.WEIS
Literature Reference Citation MOLECULES,10,521(2005)
Literature Reference DOI 10.3390/10030521
Molecular Weight 406.586 g/mol
Sample ID 56947
Solvent DMSO-D6