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N-METHOXYCARBONYL-3-EXO-(2-CHLORO-5-PYRIDYL)-2-ENDO-(PARA-TOLYLSULFONYL)-7-AZABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID CeApk6VFy20
InChI InChI=1S/C20H21ClN2O4S/c1-12-3-6-14(7-4-12)28(25,26)19-16-9-8-15(23(16)20(24)27-2)18(19)13-5-10-17(21)22-11-13/h3-7,10-11,15-16,18-19H,8-9H2,1-2H3/t15-,16+,18-,19-/m0/s1
InChIKey ATKAXDMUROHDFQ-NBMJBFSESA-N
Mol Weight 420.91 g/mol
Molecular Formula C20H21ClN2O4S
Exact Mass 420.091056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rsL6wSKMax
Name N-METHOXYCARBONYL-3-EXO-(2-CHLORO-5-PYRIDYL)-2-ENDO-(PARA-TOLYLSULFONYL)-7-AZABICYCLO-[2.2.1]-HEPTANE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClN2O4S
InChI InChI=1S/C20H21ClN2O4S/c1-12-3-6-14(7-4-12)28(25,26)19-16-9-8-15(23(16)20(24)27-2)18(19)13-5-10-17(21)22-11-13/h3-7,10-11,15-16,18-19H,8-9H2,1-2H3/t15-,16+,18-,19-/m0/s1
InChIKey ATKAXDMUROHDFQ-NBMJBFSESA-N
Literature Reference Author G.M.P.GIBLIN,C.D.JONES,N.S.SIMPKINS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3689(1998)
Literature Reference DOI 10.1039/a807073c
Molecular Weight 420.911 g/mol
Solvent CDCl3
Source File Reference UWCP9072