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2-BENZYL-4,4-DICHLORO-6-CYANO-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
SpectraBase Compound ID xeYh0oGMDx
InChI InChI=1S/C16H16Cl2N2O/c17-16(18)14-8-13(7-6-12(14)9-19)20(15(16)21)10-11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2/t12-,13-,14-/m1/s1
InChIKey YQECEZIDCGLBDX-MGPQQGTHSA-N
Mol Weight 323.22 g/mol
Molecular Formula C16H16Cl2N2O
Exact Mass 322.063969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34PUfcxNqWZ
Name 2-BENZYL-4,4-DICHLORO-6-CYANO-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16Cl2N2O
InChI InChI=1S/C16H16Cl2N2O/c17-16(18)14-8-13(7-6-12(14)9-19)20(15(16)21)10-11-4-2-1-3-5-11/h1-5,12-14H,6-8,10H2/t12-,13-,14-/m1/s1
InChIKey YQECEZIDCGLBDX-MGPQQGTHSA-N
Literature Reference Author J.QUIRANTE,C.ESCOLANO,F.DIABA,M.TORRA,J.BONJOCH
Literature Reference Citation MAGN.RES.CHEM.,38,891(2000)
Literature Reference DOI 10.1002/1097-458x(200010)38:10<891::aid-mrc725>3.3.co;2-y
Molecular Weight 323.222 g/mol
Solvent CDCl3
Source File Reference UWSI3554