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butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID 91FmNHDt7IN
InChI InChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)/b21-10+
InChIKey KJGFUBIESCBADD-UFFVCSGVSA-N
Mol Weight 443.13 g/mol
Molecular Formula C17H14BrCl2N3O2
Exact Mass 440.964645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EZ2hgL8Syj
Name Butanoic acid, 4-[(2,5-dichlorophenyl)amino]-4-oxo-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 440.964645101 u
Formula C17H14BrCl2N3O2
InChI InChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)/b21-10+
InChIKey KJGFUBIESCBADD-UFFVCSGVSA-N
Molecular Weight 443.128 g/mol
SMILES N(C1=CC(Cl)=CC=C1Cl)C(CCC(N\N=C\C=1C=CC(=CC1)Br)=O)=O