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N-[(S)-1-(METHOXYCARBONYL)-(S)-2-METHYLBUTYL]-(6S)-2,3-DIDEHYDRO-6-[3-(2-METHYL-1,3-DITHIAN-2-YL)-PROPYL]-PIPERIDIN-4-ONE
SpectraBase Compound ID XpX651ldow
InChI InChI=1S/C20H33NO3S2/c1-5-15(2)18(19(23)24-4)21-11-9-17(22)14-16(21)8-6-10-20(3)25-12-7-13-26-20/h9,11,15-16,18H,5-8,10,12-14H2,1-4H3/t15?,16-,18-/m1/s1
InChIKey KBDAHPJDSXVPIE-WOEZKJSCSA-N
Mol Weight 399.6 g/mol
Molecular Formula C20H33NO3S2
Exact Mass 399.190186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LURjlSEuFOi
Name N-[(S)-1-(METHOXYCARBONYL)-(S)-2-METHYLBUTYL]-(6S)-2,3-DIDEHYDRO-6-[3-(2-METHYL-1,3-DITHIAN-2-YL)-PROPYL]-PIPERIDIN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H33NO3S2
InChI InChI=1S/C20H33NO3S2/c1-5-15(2)18(19(23)24-4)21-11-9-17(22)14-16(21)8-6-10-20(3)25-12-7-13-26-20/h9,11,15-16,18H,5-8,10,12-14H2,1-4H3/t15?,16-,18-/m1/s1
InChIKey KBDAHPJDSXVPIE-WOEZKJSCSA-N
Literature Reference Author H.WALDMANN,M.BRAUN
Literature Reference Citation J.ORG.CHEM.,57,4444(1992)
Literature Reference DOI 10.1021/jo00042a027
Molecular Weight 399.607 g/mol
Solvent CDCl3
Source File Reference UWCS1546