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N-METHOXYCARBONYL-2-EXO-CHLORO-2-ENDO-(PHENYLSULFANYL)-8-AZABICYCLO-[3.2.1]-OCTAN-3-ONE;ROTAMER-#1
SpectraBase Compound ID HDHDOtMvh0m
InChI InChI=1S/C15H16ClNO3S/c1-20-14(19)17-10-7-8-12(17)15(16,13(18)9-10)21-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15+/m1/s1
InChIKey BYIGPTZGPMCZPW-GMXABZIVSA-N
Mol Weight 325.81 g/mol
Molecular Formula C15H16ClNO3S
Exact Mass 325.053942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0uU1y4FYZe
Name N-METHOXYCARBONYL-2-EXO-CHLORO-2-ENDO-(PHENYLSULFANYL)-8-AZABICYCLO-[3.2.1]-OCTAN-3-ONE;ROTAMER-#2
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16ClNO3S
InChI InChI=1S/C15H16ClNO3S/c1-20-14(19)17-10-7-8-12(17)15(16,13(18)9-10)21-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+,15+/m1/s1
InChIKey BYIGPTZGPMCZPW-GMXABZIVSA-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 325.810 g/mol
Solvent CDCl3
Source File Reference UWCP9067