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3-Ethyl-lumiflavin
SpectraBase Compound ID H2RLgx0BWl2
InChI InChI=1S/C15H16N4O2/c1-5-19-14(20)12-13(17-15(19)21)18(4)11-7-9(3)8(2)6-10(11)16-12/h6-7H,5H2,1-4H3
InChIKey MFOYZVSVEMMNOB-UHFFFAOYSA-N
Mol Weight 284.32 g/mol
Molecular Formula C15H16N4O2
Exact Mass 284.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlNNow6yKKX
Name 3-Ethyl-lumiflavin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.127325769 u
Formula C15H16N4O2
InChI InChI=1S/C15H16N4O2/c1-5-19-14(20)12-13(17-15(19)21)18(4)11-7-9(3)8(2)6-10(11)16-12/h6-7H,5H2,1-4H3
InChIKey MFOYZVSVEMMNOB-UHFFFAOYSA-N
SMILES C=12C(=NC(N(C2=O)CC)=O)N(C)C2=C(N1)C=C(C(C)=C2)C