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3-(DIMETHYLAMINO)-7,8,9,10-TETRAHYDRO-4,4,8-TRIMETHYL-4H-1,2,5-BENZOTHIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
SpectraBase Compound ID 2VtEVp7sG9b
InChI InChI=1S/C14H23N3O3S/c1-9-6-7-11-10(8-9)12(18)15-14(2,3)13(17(4)5)16-21(11,19)20/h9H,6-8H2,1-5H3,(H,15,18)/b16-13+
InChIKey SACCZGPNXRPSDV-DTQAZKPQSA-N
Mol Weight 313.42 g/mol
Molecular Formula C14H23N3O3S
Exact Mass 313.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fj6CCP6DB4S
Name 3-(DIMETHYLAMINO)-7,8,9,10-TETRAHYDRO-4,4,8-TRIMETHYL-4H-1,2,5-BENZOTHIADIAZOCIN-6-(5H)-ON-1,1-DIOXIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H23N3O3S
InChI InChI=1S/C14H23N3O3S/c1-9-6-7-11-10(8-9)12(18)15-14(2,3)13(17(4)5)16-21(11,19)20/h9H,6-8H2,1-5H3,(H,15,18)/b16-13+
InChIKey SACCZGPNXRPSDV-DTQAZKPQSA-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 313.415 g/mol
Solvent CDCl3
Source File Reference UWVP4505