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(6RS,7RS)-(+/-)-6,7-DIPHENYL-4-PIPERIDINO-BICYClO-[2.2.2]-OCTAN-2-ONE-THIOCYANATE
SpectraBase Compound ID IxrGEknO6iB
InChI InChI=1S/C25H29NO.CHNS/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20;2-1-3/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2;3H/t21-,22-,24-,25-;/m0./s1
InChIKey TUUJFZKMPBAXIU-FKCGRILISA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H30N2OS
Exact Mass 418.207885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ty0lENvIsB
Name (6RS,7RS)-(+/-)-6,7-DIPHENYL-4-PIPERIDINO-BICYClO-[2.2.2]-OCTAN-2-ONE-THIOCYANATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30N2OS
InChI InChI=1S/C25H29NO.CHNS/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20;2-1-3/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2;3H/t21-,22-,24-,25-;/m0./s1
InChIKey TUUJFZKMPBAXIU-FKCGRILISA-N
Literature Reference Author R.WEIS,R.BRUN,R.SAF,W.SEEBACHER
Literature Reference Citation MH.CHEM.,134,1019(2003)
Literature Reference DOI 10.1007/s00706-003-0011-7
Molecular Weight 418.597 g/mol
Solvent DMSO-D6
Source File Reference UWKP5303