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METHYL-6-OXO-BENZO-[4,5]-CANTHINE-2-CARBOXYLATE
SpectraBase Compound ID 1TfEAEjFjPB
InChI InChI=1S/C20H12N2O3/c1-25-20(24)15-10-14-11-6-4-5-9-16(11)22-18(14)17(21-15)12-7-2-3-8-13(12)19(22)23/h2-10H,1H3
InChIKey KAHZNTHIYZOINF-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C20H12N2O3
Exact Mass 328.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKOKCCQBD5R
Name METHYL-6-OXO-BENZO-[4,5]-CANTHINE-2-CARBOXYLATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H12N2O3
InChI InChI=1S/C20H12N2O3/c1-25-20(24)15-10-14-11-6-4-5-9-16(11)22-18(14)17(21-15)12-7-2-3-8-13(12)19(22)23/h2-10H,1H3
InChIKey KAHZNTHIYZOINF-UHFFFAOYSA-N
Literature Reference Author C.M.B.L.SILVA,F.P.GARCIA,J.H.D.S.RODRIGUES,C.V.NAKAMURA,T.UE DA-NAKAMURA,E.MEYER
Literature Reference Citation CHEM.PHARM.BULL.,60,1372(2012)
Literature Reference DOI 10.1248/cpb.c12-00356
Molecular Weight 328.327 g/mol
Source File Reference UWBT4631