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1-ACETYL-2,6-DI-(1-ADAMANTYL-THIO)-4-TERT.-BUTYL-3-HYDROXY-1,2,3,6-TETRAHYDRO-PYRIDINE;(ROTAMER-#2)
SpectraBase Compound ID 4ODNjxXJjO3
InChI InChI=1S/C31H47NO2S2/c1-18(33)32-26(35-30-12-19-5-20(13-30)7-21(6-19)14-30)11-25(29(2,3)4)27(34)28(32)36-31-15-22-8-23(16-31)10-24(9-22)17-31/h11,19-24,26-28,34H,5-10,12-17H2,1-4H3/t19-,20+,21-,22-,23?,24?,26?,27?,28?,30-,31?
InChIKey PAGOJNANWIYOGF-MHQITCEWSA-N
Mol Weight 529.8 g/mol
Molecular Formula C31H47NO2S2
Exact Mass 529.304822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc5IO596lQC
Name 1-ACETYL-2,6-DI-(1-ADAMANTYL-THIO)-4-TERT.-BUTYL-3-HYDROXY-1,2,3,6-TETRAHYDRO-PYRIDINE;(ROTAMER-#2)
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H47NO2S2
InChI InChI=1S/C31H47NO2S2/c1-18(33)32-26(35-30-12-19-5-20(13-30)7-21(6-19)14-30)11-25(29(2,3)4)27(34)28(32)36-31-15-22-8-23(16-31)10-24(9-22)17-31/h11,19-24,26-28,34H,5-10,12-17H2,1-4H3/t19-,20+,21-,22-,23?,24?,26?,27?,28?,30-,31?
InChIKey PAGOJNANWIYOGF-MHQITCEWSA-N
Literature Reference Author J.M.KOKOSA,I.CHU,L.BAUER,R.S.EGAN
Literature Reference Citation J.HETCYCL.CHEM.,15,785(1978)
Literature Reference DOI 10.1002/jhet.5570150516
Molecular Weight 529.840 g/mol
Solvent CDCl3
Source File Reference UWED8693