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2-Bromo-4'-phenylacetophenone, 2,4-dinitrophenylhydrazone
SpectraBase Compound ID 5dR8zk24HZY
InChI InChI=1S/C20H15BrN4O4/c21-13-19(16-8-6-15(7-9-16)14-4-2-1-3-5-14)23-22-18-11-10-17(24(26)27)12-20(18)25(28)29/h1-12,22H,13H2/b23-19+
InChIKey ZFYCOZIVCARLLF-FCDQGJHFSA-N
Mol Weight 455.27 g/mol
Molecular Formula C20H15BrN4O4
Exact Mass 454.027668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsznjCkQUzf
Name 2-Bromo-4'-phenylacetophenone, 2,4-dinitrophenylhydrazone
Comments Computed using HOSE algorithm
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Exact Mass 454.027667975 u
Formula C20H15BrN4O4
InChI InChI=1S/C20H15BrN4O4/c21-13-19(16-8-6-15(7-9-16)14-4-2-1-3-5-14)23-22-18-11-10-17(24(26)27)12-20(18)25(28)29/h1-12,22H,13H2/b23-19+
InChIKey ZFYCOZIVCARLLF-FCDQGJHFSA-N
Molecular Weight 455.268 g/mol
SMILES N(=O)(=O)C=1C(=CC=C(C1)N(=O)=O)N\N=C\(C=1C=CC(=CC1)C=1C=CC=CC1)CBr