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3-Ethyl-10-(2'-hydroxyethyl)-7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
SpectraBase Compound ID DWA6Ab3kyOc
InChI InChI=1S/C16H18N4O3/c1-4-19-15(22)13-14(18-16(19)23)20(5-6-21)12-8-10(3)9(2)7-11(12)17-13/h7-8,21H,4-6H2,1-3H3
InChIKey WYEBSVJSPGZWLF-UHFFFAOYSA-N
Mol Weight 314.35 g/mol
Molecular Formula C16H18N4O3
Exact Mass 314.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNKJ1pkk20B
Name 3-Ethyl-10-(2'-hydroxyethyl)-7,8-dimethyl-10H-benzo[G]pteridine-2,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 314.137890453 u
Formula C16H18N4O3
InChI InChI=1S/C16H18N4O3/c1-4-19-15(22)13-14(18-16(19)23)20(5-6-21)12-8-10(3)9(2)7-11(12)17-13/h7-8,21H,4-6H2,1-3H3
InChIKey WYEBSVJSPGZWLF-UHFFFAOYSA-N
Molecular Weight 314.345 g/mol
SMILES C=12C(=NC(N(C2=O)CC)=O)N(CCO)C=2C(N1)=CC(=C(C)C2)C