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acetic acid, oxo[[4-(pentyloxy)phenyl]amino]-, 2-[(E)-(3,4-dimethoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID IsFzK45dBU
InChI InChI=1S/C22H27N3O5/c1-4-5-6-13-30-18-10-8-17(9-11-18)24-21(26)22(27)25-23-15-16-7-12-19(28-2)20(14-16)29-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/b23-15+
InChIKey MQRQDEDHXWJVNA-HZHRSRAPSA-N
Mol Weight 413.47 g/mol
Molecular Formula C22H27N3O5
Exact Mass 413.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3GgTXTPHhh
Name Acetic acid, oxo[[4-(pentyloxy)phenyl]amino]-, 2-[(E)-(3,4-dimethoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 413.195070976 u
Formula C22H27N3O5
InChI InChI=1S/C22H27N3O5/c1-4-5-6-13-30-18-10-8-17(9-11-18)24-21(26)22(27)25-23-15-16-7-12-19(28-2)20(14-16)29-3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)(H,25,27)/b23-15+
InChIKey MQRQDEDHXWJVNA-HZHRSRAPSA-N
Molecular Weight 413.474 g/mol
SMILES N(C(C(N\N=C\C=1C=C(OC)C(=CC1)OC)=O)=O)C=1C=CC(=CC1)OCCCCC