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3-(DIMETHYLAMINO)-4,7,8,9,10,11-HEXAHYDROSPIRO-[CYCLOHEPTA-[G]-1,2,5-THIADIAZOCIN-4,1'-CYCLOPENTAN]-6-(5H)-ON-1,1-DIOXIDE
SpectraBase Compound ID AjbmHJ3tTEt
InChI InChI=1S/C16H25N3O3S/c1-19(2)15-16(10-6-7-11-16)17-14(20)12-8-4-3-5-9-13(12)23(21,22)18-15/h3-11H2,1-2H3,(H,17,20)/b18-15+
InChIKey QNKYAXWBBCBYSY-OBGWFSINSA-N
Mol Weight 339.45 g/mol
Molecular Formula C16H25N3O3S
Exact Mass 339.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YNOOdWaoyn
Name 3-(DIMETHYLAMINO)-4,7,8,9,10,11-HEXAHYDROSPIRO-[CYCLOHEPTA-[G]-1,2,5-THIADIAZOCIN-4,1'-CYCLOPENTAN]-6-(5H)-ON-1,1-DIOXIDE
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25N3O3S
InChI InChI=1S/C16H25N3O3S/c1-19(2)15-16(10-6-7-11-16)17-14(20)12-8-4-3-5-9-13(12)23(21,22)18-15/h3-11H2,1-2H3,(H,17,20)/b18-15+
InChIKey QNKYAXWBBCBYSY-OBGWFSINSA-N
Literature Reference Author A.RAHM,A.LINDEN,B.R.VINCENT,H.HEIMGARTNER,M.MUEHLSTAEDT,B.SC HULZE
Literature Reference Citation HELV.CHIM.ACTA,74,1002(1991)
Literature Reference DOI 10.1002/hlca.19910740511
Molecular Weight 339.453 g/mol
Solvent CDCl3
Source File Reference UWVP4510