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2-ACETOXY-1-ACETYL-6-(1-ADAMANTYL-THIO)-3-HYDROXY-3,5-DIMETHYL-1,2,3,6-TETRAHYDRO-PYRIDINE
SpectraBase Compound ID 3jX8OjohQsy
InChI InChI=1S/C21H31NO4S/c1-12-8-20(4,25)19(26-14(3)24)22(13(2)23)18(12)27-21-9-15-5-16(10-21)7-17(6-15)11-21/h8,15-19,25H,5-7,9-11H2,1-4H3/t15-,16+,17-,18?,19?,20?,21-
InChIKey DBXHSJYAXIVPQY-XRJUCILNSA-N
Mol Weight 393.54 g/mol
Molecular Formula C21H31NO4S
Exact Mass 393.19738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1H90Mxgy5kJ
Name 2-ACETOXY-1-ACETYL-6-(1-ADAMANTYL-THIO)-3-HYDROXY-3,5-DIMETHYL-1,2,3,6-TETRAHYDRO-PYRIDINE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NO4S
InChI InChI=1S/C21H31NO4S/c1-12-8-20(4,25)19(26-14(3)24)22(13(2)23)18(12)27-21-9-15-5-16(10-21)7-17(6-15)11-21/h8,15-19,25H,5-7,9-11H2,1-4H3/t15-,16+,17-,18?,19?,20?,21-
InChIKey DBXHSJYAXIVPQY-XRJUCILNSA-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 393.541 g/mol
Solvent CDCl3
Source File Reference UWED8672