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beta-alanine, N-(3-chlorophenyl)-3-oxo-, 2-[(E)-(2,4-dimethoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID I0d8FD50sMD
InChI InChI=1S/C18H18ClN3O4/c1-25-15-7-6-12(16(9-15)26-2)11-20-22-18(24)10-17(23)21-14-5-3-4-13(19)8-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)/b20-11+
InChIKey BUKCNQSXDNLJLK-RGVLZGJSSA-N
Mol Weight 375.81 g/mol
Molecular Formula C18H18ClN3O4
Exact Mass 375.098584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aSP0VsbqAa
Name beta-Alanine, N-(3-chlorophenyl)-3-oxo-, 2-[(E)-(2,4-dimethoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 375.098583768 u
Formula C18H18ClN3O4
InChI InChI=1S/C18H18ClN3O4/c1-25-15-7-6-12(16(9-15)26-2)11-20-22-18(24)10-17(23)21-14-5-3-4-13(19)8-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)/b20-11+
InChIKey BUKCNQSXDNLJLK-RGVLZGJSSA-N
Molecular Weight 375.812 g/mol
SMILES N(\N=C\C1=C(C=C(C=C1)OC)OC)C(CC(NC=1C=C(Cl)C=CC1)=O)=O