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[(1S,2R,5S)-(6-BENZYL-8-METHYL-7,9-DIOXO-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL)]-METHANE-SULFONATE
SpectraBase Compound ID 3wcDuJLhPBY
InChI InChI=1S/C16H20N2O5S/c1-17-14-13(23-24(2,21)22)9-8-12(15(17)19)18(16(14)20)10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-/m0/s1
InChIKey UPDMPELIPYTCIV-MJBXVCDLSA-N
Mol Weight 352.41 g/mol
Molecular Formula C16H20N2O5S
Exact Mass 352.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfARAcQPKfh
Name [(1S,2R,5S)-(6-BENZYL-8-METHYL-7,9-DIOXO-6,8-DIAZABICYCLO-[3.2.2]-NONAN-2-YL)]-METHANE-SULFONATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O5S
InChI InChI=1S/C16H20N2O5S/c1-17-14-13(23-24(2,21)22)9-8-12(15(17)19)18(16(14)20)10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-/m0/s1
InChIKey UPDMPELIPYTCIV-MJBXVCDLSA-N
Literature Reference Author M.WEIGL,S.BEDUERFTIG,C.A.MAIER,B.WUENSCH
Literature Reference Citation BIOORG.MED.CHEM.,10,2245(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00043-3
Molecular Weight 352.405 g/mol
Solvent CDCl3
Source File Reference UWVN28505