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2,3-BUTYLONE;1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)-BUTAN-1-ONE
SpectraBase Compound ID 8qI8T12iysS
InChI InChI=1S/C12H15NO3/c1-3-9(13-2)11(14)8-5-4-6-10-12(8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3
InChIKey PTUITMGAZZSTHM-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9rhzC4wVLB
Name 2,3-BUTYLONE;1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)-BUTAN-1-ONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-3-9(13-2)11(14)8-5-4-6-10-12(8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3
InChIKey PTUITMGAZZSTHM-UHFFFAOYSA-N
Literature Reference Author P.KAVANAGH,J.OBRIEN,J.FOX,C.ODONNELL,R.CHRISTIE,J.D.POWER,S. D.MCDERMOTT
Literature Reference Citation FOR.SCI.INT.,216,19(2012)
Literature Reference DOI 10.1016/j.forsciint.2011.08.011
Molecular Weight 221.256 g/mol
Sample ID 70778
Solvent CDCl3_OR_DMSO-D6