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3-(DIMETHYLAMINO)-4,4,7-TRIMETHYL-8-PHENYL-4H-1,2,5-THIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
SpectraBase Compound ID HfZ5NU0TksK
InChI InChI=1S/C16H21N3O3S/c1-11-13(12-9-7-6-8-10-12)23(21,22)18-15(19(4)5)16(2,3)17-14(11)20/h6-10H,1-5H3,(H,17,20)/b13-11-,18-15+
InChIKey DERKYCQXGOLGSO-VPNJASFLSA-N
Mol Weight 335.42 g/mol
Molecular Formula C16H21N3O3S
Exact Mass 335.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jM6TEu27MX
Name 3-(DIMETHYLAMINO)-4,4,7-TRIMETHYL-8-PHENYL-4H-1,2,5-THIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N3O3S
InChI InChI=1S/C16H21N3O3S/c1-11-13(12-9-7-6-8-10-12)23(21,22)18-15(19(4)5)16(2,3)17-14(11)20/h6-10H,1-5H3,(H,17,20)/b13-11-,18-15+
InChIKey DERKYCQXGOLGSO-VPNJASFLSA-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 335.421 g/mol
Solvent CDCl3
Source File Reference UWVP4508