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1-(2-Carboxy-6-nitrophenyl)-4-nitronaphthalene

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

1-(2-Carboxy-6-nitrophenyl)-4-nitronaphthalene
SpectraBase Compound ID EjW2KcfpJwL
InChI InChI=1S/C17H10N2O6/c20-17(21)13-6-3-7-15(19(24)25)16(13)12-8-9-14(18(22)23)11-5-2-1-4-10(11)12/h1-9H,(H,20,21)
InChIKey ZUAWHAYACNWTNY-UHFFFAOYSA-N
Mol Weight 338.28 g/mol
Molecular Formula C17H10N2O6
Exact Mass 338.053886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjjgHrWa9MG
Name 1-(2-Carboxy-6-nitrophenyl)-4-nitronaphthalene
Comments Computed using HOSE algorithm
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Exact Mass 338.053886044 u
Formula C17H10N2O6
InChI InChI=1S/C17H10N2O6/c20-17(21)13-6-3-7-15(19(24)25)16(13)12-8-9-14(18(22)23)11-5-2-1-4-10(11)12/h1-9H,(H,20,21)
InChIKey ZUAWHAYACNWTNY-UHFFFAOYSA-N
Molecular Weight 338.275 g/mol
SMILES C1(C2=C3C(C=CC=C3)=C(N(=O)=O)C=C2)=C(N(=O)=O)C=CC=C1C(=O)O