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2-Chloro-3-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione

View entire compound with spectra: 1 NMR

2-Chloro-3-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione
SpectraBase Compound ID 4UcwhkXNK66
InChI InChI=1S/C17H11ClN2O4/c18-14-15(17(22)13-4-2-1-3-12(13)16(14)21)19-9-10-5-7-11(8-6-10)20(23)24/h1-8,19H,9H2
InChIKey CKHQKSLDNDQKCH-UHFFFAOYSA-N
Mol Weight 342.74 g/mol
Molecular Formula C17H11ClN2O4
Exact Mass 342.040735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP22siCg7O8
Name 2-Chloro-3-{[(4-nitrophenyl)methyl]amino}naphthalene-1,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 342.040734538 u
Formula C17H11ClN2O4
InChI InChI=1S/C17H11ClN2O4/c18-14-15(17(22)13-4-2-1-3-12(13)16(14)21)19-9-10-5-7-11(8-6-10)20(23)24/h1-8,19H,9H2
InChIKey CKHQKSLDNDQKCH-UHFFFAOYSA-N
Molecular Weight 342.738 g/mol
SMILES C12=C(C=CC=C2)C(C(=C(C1=O)Cl)NCC1=CC=C(C=C1)N(=O)=O)=O