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2-Hydroxy-6,7-dimethoxy-3-(2-nitrophenyl)-1,4-naphthoquinone

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

2-Hydroxy-6,7-dimethoxy-3-(2-nitrophenyl)-1,4-naphthoquinone
SpectraBase Compound ID 9dDW2EgdHkE
InChI InChI=1S/C18H13NO7/c1-25-13-7-10-11(8-14(13)26-2)17(21)18(22)15(16(10)20)9-5-3-4-6-12(9)19(23)24/h3-8,22H,1-2H3
InChIKey SLUFELHGSORLQA-UHFFFAOYSA-N
Mol Weight 355.3 g/mol
Molecular Formula C18H13NO7
Exact Mass 355.069202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOkuv42qxgT
Name 2-Hydroxy-6,7-dimethoxy-3-(2-nitrophenyl)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.069201756 u
Formula C18H13NO7
InChI InChI=1S/C18H13NO7/c1-25-13-7-10-11(8-14(13)26-2)17(21)18(22)15(16(10)20)9-5-3-4-6-12(9)19(23)24/h3-8,22H,1-2H3
InChIKey SLUFELHGSORLQA-UHFFFAOYSA-N
Molecular Weight 355.302 g/mol
SMILES C1(C(=C(C(C=2C=C(C(=CC12)OC)OC)=O)C=1C(=CC=CC1)N(=O)=O)O)=O