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10-[3'-(2",5"-Dihydroxyphenyl)propyl]-7,8-dimethylisoalloxazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

10-[3'-(2",5"-Dihydroxyphenyl)propyl]-7,8-dimethylisoalloxazine
SpectraBase Compound ID C4FzpWSI6Bu
InChI InChI=1S/C21H20N4O4/c1-11-8-15-16(9-12(11)2)25(19-18(22-15)20(28)24-21(29)23-19)7-3-4-13-10-14(26)5-6-17(13)27/h5-6,8-10,26-27H,3-4,7H2,1-2H3,(H,24,28,29)
InChIKey BZAJUPKWPCFMSD-UHFFFAOYSA-N
Mol Weight 392.42 g/mol
Molecular Formula C21H20N4O4
Exact Mass 392.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIhAx2xEUz3
Name 10-[3'-(2'',5''-Dihydroxyphenyl)propyl]-7,8-dimethylisoalloxazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.148455136 u
Formula C21H20N4O4
InChI InChI=1S/C21H20N4O4/c1-11-8-15-16(9-12(11)2)25(19-18(22-15)20(28)24-21(29)23-19)7-3-4-13-10-14(26)5-6-17(13)27/h5-6,8-10,26-27H,3-4,7H2,1-2H3,(H,24,28,29)
InChIKey BZAJUPKWPCFMSD-UHFFFAOYSA-N
Molecular Weight 392.415 g/mol
SMILES C=12C(=NC3=C(N2CCCC=2C(=CC=C(C2)O)O)C=C(C(C)=C3)C)C(=O)NC(N1)=O