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3-ACETOXY-1-ACETYL-4-TERT.-BUTYL-2,6-DI-TERT.-BUTYL-THIO-1,2,3,6-TETRAHYDRO-PYRIDINE;(ROTAMER-#1)
SpectraBase Compound ID 2LjPcQivo1c
InChI InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(25-14(2)24)18(22)27-21(9,10)11/h12,16-18H,1-11H3
InChIKey LCRKOPWJUYXPPA-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C21H37NO3S2
Exact Mass 415.221486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxcLxxQxFau
Name 3-ACETOXY-1-ACETYL-4-TERT.-BUTYL-2,6-DI-TERT.-BUTYL-THIO-1,2,3,6-TETRAHYDRO-PYRIDINE;(ROTAMER-#2)
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H37NO3S2
InChI InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(25-14(2)24)18(22)27-21(9,10)11/h12,16-18H,1-11H3
InChIKey LCRKOPWJUYXPPA-UHFFFAOYSA-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 415.650 g/mol
Solvent CDCl3
Source File Reference UWED8683