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beta-alanine, N-(3,4-dichlorophenyl)-3-oxo-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID 8zi4Fb5HsUq
InChI InChI=1S/C16H12BrCl2N3O2/c17-11-3-1-10(2-4-11)9-20-22-16(24)8-15(23)21-12-5-6-13(18)14(19)7-12/h1-7,9H,8H2,(H,21,23)(H,22,24)/b20-9+
InChIKey ZDUALHAWTYCGNX-AWQFTUOYSA-N
Mol Weight 429.1 g/mol
Molecular Formula C16H12BrCl2N3O2
Exact Mass 426.948995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EC2LCYAvya2
Name beta-Alanine, N-(3,4-dichlorophenyl)-3-oxo-, 2-[(E)-(4-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 426.948995036 u
Formula C16H12BrCl2N3O2
InChI InChI=1S/C16H12BrCl2N3O2/c17-11-3-1-10(2-4-11)9-20-22-16(24)8-15(23)21-12-5-6-13(18)14(19)7-12/h1-7,9H,8H2,(H,21,23)(H,22,24)/b20-9+
InChIKey ZDUALHAWTYCGNX-AWQFTUOYSA-N
Molecular Weight 429.101 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)Br)C(CC(NC1=CC(Cl)=C(C=C1)Cl)=O)=O