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10,10'-Trimethylenebis(3-methylisoalloxazine)
SpectraBase Compound ID LDKqJoizysA
InChI InChI=1S/C25H20N8O4/c1-30-22(34)18-20(28-24(30)36)32(16-10-5-3-8-14(16)26-18)12-7-13-33-17-11-6-4-9-15(17)27-19-21(33)29-25(37)31(2)23(19)35/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey ODFQAMNENWXQST-UHFFFAOYSA-N
Mol Weight 496.49 g/mol
Molecular Formula C25H20N8O4
Exact Mass 496.160751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K45aUsA6ACI
Name 10,10'-Trimethylenebis(3-methylisoalloxazine)
Comments Computed using HOSE algorithm
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Exact Mass 496.160751152 u
Formula C25H20N8O4
InChI InChI=1S/C25H20N8O4/c1-30-22(34)18-20(28-24(30)36)32(16-10-5-3-8-14(16)26-18)12-7-13-33-17-11-6-4-9-15(17)27-19-21(33)29-25(37)31(2)23(19)35/h3-6,8-11H,7,12-13H2,1-2H3
InChIKey ODFQAMNENWXQST-UHFFFAOYSA-N
Molecular Weight 496.487 g/mol
SMILES C(CCN1C=2C=CC=CC2N=C2C(N(C(N=C12)=O)C)=O)N1C=2C=CC=CC2N=C2C(N(C(N=C12)=O)C)=O