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1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-ISOINDOLINIUM-BENZENESULFONATE
SpectraBase Compound ID KeWMKuVccWs
InChI InChI=1S/C18H21NO3S/c1-17(2)15-12-8-9-13-16(15)18(3,4)19(17)22-23(20,21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey OPLNXDCYKIRASG-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3eFJZmxbkK
Name 1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-ISOINDOLINIUM-BENZENESULFONATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-17(2)15-12-8-9-13-16(15)18(3,4)19(17)22-23(20,21)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey OPLNXDCYKIRASG-UHFFFAOYSA-N
Literature Reference Author F.ALDABBAGH,W.K.BUSFIELD,I.D.JENKINS
Literature Reference Citation AUSTR.J.CHEM.,54,313(2001)
Literature Reference DOI 10.1071/CH01100
Molecular Weight 331.430 g/mol
Solvent CDCl3
Source File Reference UWKP3768