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3-(DIMETHYLAMINO)-4,7,8,9,10,11-HEXAHYDRO-4-ISOPROPYL-4-METHYLCYCLOHEPTA-[G]-1,2,5-THIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
SpectraBase Compound ID ectCcB0zC7
InChI InChI=1S/C16H27N3O3S/c1-11(2)16(3)15(19(4)5)18-23(21,22)13-10-8-6-7-9-12(13)14(20)17-16/h11H,6-10H2,1-5H3,(H,17,20)/b18-15+
InChIKey KEVJZCBTJTXPGB-OBGWFSINSA-N
Mol Weight 341.47 g/mol
Molecular Formula C16H27N3O3S
Exact Mass 341.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEgt0wAT65u
Name 3-(DIMETHYLAMINO)-4,7,8,9,10,11-HEXAHYDRO-4-ISOPROPYL-4-METHYLCYCLOHEPTA-[G]-1,2,5-THIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
Compound Number 5I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27N3O3S
InChI InChI=1S/C16H27N3O3S/c1-11(2)16(3)15(19(4)5)18-23(21,22)13-10-8-6-7-9-12(13)14(20)17-16/h11H,6-10H2,1-5H3,(H,17,20)/b18-15+
InChIKey KEVJZCBTJTXPGB-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 341.469 g/mol
Solvent CDCl3
Source File Reference UWVP4511