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1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)hexitol

View entire compound with spectra: 2 NMR

1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)hexitol
SpectraBase Compound ID 4NelecVzfsK
InChI InChI=1S/C18H22N4O7/c1-7-3-9-10(4-8(7)2)22(5-11(24)14(26)15(27)12(25)6-23)16-13(19-9)17(28)21-18(29)20-16/h3-4,11-12,14-15,23-27H,5-6H2,1-2H3,(H,21,28,29)
InChIKey RPADDAUXKBBASM-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C18H22N4O7
Exact Mass 406.148849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCIAESLEDrw
Name 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[G]pteridin-10(2H)-yl)hexitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.148849057 u
Formula C18H22N4O7
InChI InChI=1S/C18H22N4O7/c1-7-3-9-10(4-8(7)2)22(5-11(24)14(26)15(27)12(25)6-23)16-13(19-9)17(28)21-18(29)20-16/h3-4,11-12,14-15,23-27H,5-6H2,1-2H3,(H,21,28,29)
InChIKey RPADDAUXKBBASM-UHFFFAOYSA-N
Molecular Weight 406.395 g/mol
SMILES OC(C(C(C(CN1C=2C(=NC3=C1C=C(C(C)=C3)C)C(=O)NC(N2)=O)O)O)O)CO