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5-Benzyl-3-methyl-1,5-dihydro-lumiflavin

View entire compound with spectra: 1 NMR

5-Benzyl-3-methyl-1,5-dihydro-lumiflavin
SpectraBase Compound ID GuFDbW5JqNP
InChI InChI=1S/C21H22N4O2/c1-13-10-16-17(11-14(13)2)25(12-15-8-6-5-7-9-15)18-19(23(16)3)22-21(27)24(4)20(18)26/h5-11H,12H2,1-4H3,(H,22,27)
InChIKey MLPUQHRQAAMKHW-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C21H22N4O2
Exact Mass 362.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xBEdgyenFm
Name 5-Benzyl-3-methyl-1,5-dihydro-lumiflavin
CAS Registry Number 15578-97-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22N4O2
InChI InChI=1S/C21H22N4O2/c1-13-10-16-17(11-14(13)2)25(12-15-8-6-5-7-9-15)18-19(23(16)3)22-21(27)24(4)20(18)26/h5-11H,12H2,1-4H3,(H,22,27)
InChIKey MLPUQHRQAAMKHW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.G. Van Schagen, F. Mueller, Helv. Chim. Acta 63, 2187 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3