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2-BENZYL-4-CHLORO-6-CYANO-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
SpectraBase Compound ID FdVjVhyaVq4
InChI InChI=1S/C16H17ClN2O/c17-15-14-8-13(7-6-12(14)9-18)19(16(15)20)10-11-4-2-1-3-5-11/h1-5,12-15H,6-8,10H2/t12-,13-,14-,15+/m1/s1
InChIKey CXKNTGPREGZGKQ-TUVASFSCSA-N
Mol Weight 288.78 g/mol
Molecular Formula C16H17ClN2O
Exact Mass 288.102941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pUak2wVWXO
Name 2-BENZYL-4-CHLORO-6-CYANO-2-AZABICYCLO-[3.3.1]-NONAN-3-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17ClN2O
InChI InChI=1S/C16H17ClN2O/c17-15-14-8-13(7-6-12(14)9-18)19(16(15)20)10-11-4-2-1-3-5-11/h1-5,12-15H,6-8,10H2/t12-,13-,14-,15+/m1/s1
InChIKey CXKNTGPREGZGKQ-TUVASFSCSA-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 288.777 g/mol
Solvent CDCl3
Source File Reference UWSI3550