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2,2'-Methylenebis(3,8-dihydroxynaphthoquinone)

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2,2'-Methylenebis(3,8-dihydroxynaphthoquinone)
SpectraBase Compound ID 5iOOsC0gqqz
InChI InChI=1S/C21H12O8/c22-12-5-1-3-8-14(12)16(24)10(20(28)18(8)26)7-11-17(25)15-9(19(27)21(11)29)4-2-6-13(15)23/h1-6,22-23,28-29H,7H2
InChIKey NJFXAGMLAXOFAE-UHFFFAOYSA-N
Mol Weight 392.32 g/mol
Molecular Formula C21H12O8
Exact Mass 392.053217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8T7chJir4Dj
Name 2,2'-Methylenebis(3,8-dihydroxynaphthoquinone)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.053217338 u
Formula C21H12O8
InChI InChI=1S/C21H12O8/c22-12-5-1-3-8-14(12)16(24)10(20(28)18(8)26)7-11-17(25)15-9(19(27)21(11)29)4-2-6-13(15)23/h1-6,22-23,28-29H,7H2
InChIKey NJFXAGMLAXOFAE-UHFFFAOYSA-N
Molecular Weight 392.319 g/mol
SMILES C=1(C(C2=C(O)C=CC=C2C(C1O)=O)=O)CC=1C(C2=C(O)C=CC=C2C(C1O)=O)=O