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7-methoxy-1,6-dimethyl-isoquinoline-5,8-quinone
SpectraBase Compound ID 2s7RlWM07Aq
InChI InChI=1S/C12H11NO3/c1-6-10(14)8-4-5-13-7(2)9(8)11(15)12(6)16-3/h4-5H,1-3H3
InChIKey CYEQNCOGYHCBOC-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ai8s9iKl3dQ
Name 1,6-Dimethyl-7-methoxy-5,8-dihydro-isoquinoline-5,8-dione
CAS Registry Number 79664-58-7
Comments REASSIGNED R.R. C10 IS CHANGED FROM 29.70 PPM TO 23.70 PPM (PRINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-6-10(14)8-4-5-13-7(2)9(8)11(15)12(6)16-3/h4-5H,1-3H3
InChIKey CYEQNCOGYHCBOC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.M. Frincke, J.D. Faulkner, J. Am. Chem. Soc. 104, 265 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3