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2-propenoic acid, 2-(benzoylamino)-3-(4-propoxyphenyl)-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide, (2Z)-
SpectraBase Compound ID 3ojrHMT7ChD
InChI InChI=1S/C26H25N3O5/c1-2-14-34-21-11-8-18(9-12-21)15-22(28-25(32)20-6-4-3-5-7-20)26(33)29-27-17-19-10-13-23(30)24(31)16-19/h3-13,15-17,30-31H,2,14H2,1H3,(H,28,32)(H,29,33)/b22-15-,27-17+
InChIKey VLJOWOAPRMEBMF-XFVPJXQESA-N
Mol Weight 459.5 g/mol
Molecular Formula C26H25N3O5
Exact Mass 459.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lnumw2KVNFN
Name 2-Propenoic acid, 2-(benzoylamino)-3-(4-propoxyphenyl)-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide, (2Z)-
Comments Computed using HOSE algorithm
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Exact Mass 459.179420912 u
Formula C26H25N3O5
InChI InChI=1S/C26H25N3O5/c1-2-14-34-21-11-8-18(9-12-21)15-22(28-25(32)20-6-4-3-5-7-20)26(33)29-27-17-19-10-13-23(30)24(31)16-19/h3-13,15-17,30-31H,2,14H2,1H3,(H,28,32)(H,29,33)/b22-15-,27-17+
InChIKey VLJOWOAPRMEBMF-XFVPJXQESA-N
Molecular Weight 459.502 g/mol
SMILES N(\N=C\C=1C=CC(=C(C1)O)O)C(\C(NC(=O)C1=CC=CC=C1)=C/C=1C=CC(=CC1)OCCC)=O