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pentanoic acid, 5-[(4-bromophenyl)amino]-5-oxo-, 2-[(E)-(3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID L5ojQ4HRBtW
InChI InChI=1S/C19H20BrN3O3/c1-26-17-5-2-4-14(12-17)13-21-23-19(25)7-3-6-18(24)22-16-10-8-15(20)9-11-16/h2,4-5,8-13H,3,6-7H2,1H3,(H,22,24)(H,23,25)/b21-13+
InChIKey XRMHVHDGOVAZMI-FYJGNVAPSA-N
Mol Weight 418.29 g/mol
Molecular Formula C19H20BrN3O3
Exact Mass 417.068805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID macYe5M0VU
Name Pentanoic acid, 5-[(4-bromophenyl)amino]-5-oxo-, 2-[(E)-(3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 417.068804513 u
Formula C19H20BrN3O3
InChI InChI=1S/C19H20BrN3O3/c1-26-17-5-2-4-14(12-17)13-21-23-19(25)7-3-6-18(24)22-16-10-8-15(20)9-11-16/h2,4-5,8-13H,3,6-7H2,1H3,(H,22,24)(H,23,25)/b21-13+
InChIKey XRMHVHDGOVAZMI-FYJGNVAPSA-N
Molecular Weight 418.291 g/mol
SMILES N(C(CCCC(NC1=CC=C(C=C1)Br)=O)=O)\N=C\C1=CC(OC)=CC=C1