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N'-[(E)-(5-bromo-2-propoxyphenyl)methylidene]-3,4,5-trimethoxybenzohydrazide
SpectraBase Compound ID DWfGhF3ESTK
InChI InChI=1S/C20H23BrN2O5/c1-5-8-28-16-7-6-15(21)9-14(16)12-22-23-20(24)13-10-17(25-2)19(27-4)18(11-13)26-3/h6-7,9-12H,5,8H2,1-4H3,(H,23,24)/b22-12+
InChIKey CVXHBWAYDZRISX-WSDLNYQXSA-N
Mol Weight 451.32 g/mol
Molecular Formula C20H23BrN2O5
Exact Mass 450.079035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGpO0AN9Opz
Name N'-[(E)-(5-bromo-2-propoxyphenyl)methylidene]-3,4,5-trimethoxybenzohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 450.079034844 u
Formula C20H23BrN2O5
InChI InChI=1S/C20H23BrN2O5/c1-5-8-28-16-7-6-15(21)9-14(16)12-22-23-20(24)13-10-17(25-2)19(27-4)18(11-13)26-3/h6-7,9-12H,5,8H2,1-4H3,(H,23,24)/b22-12+
InChIKey CVXHBWAYDZRISX-WSDLNYQXSA-N
Molecular Weight 451.317 g/mol
SMILES N(\N=C\C1=C(C=CC(=C1)Br)OCCC)C(C=1C=C(C(=C(C1)OC)OC)OC)=O