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Propionitrile, 3-(4-butoxybenzylidenhydrazino)-3-oxo-
SpectraBase Compound ID Btlg70kvxeV
InChI InChI=1S/C14H17N3O2/c1-2-3-10-19-13-6-4-12(5-7-13)11-16-17-14(18)8-9-15/h4-7,11H,2-3,8,10H2,1H3,(H,17,18)/b16-11+
InChIKey LXXXEGYNPPMWEU-LFIBNONCSA-N
Mol Weight 259.31 g/mol
Molecular Formula C14H17N3O2
Exact Mass 259.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BJtEBNEGhZ
Name Propionitrile, 3-(4-butoxybenzylidenhydrazino)-3-oxo-
Comments Computed using HOSE algorithm
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Exact Mass 259.132076797 u
Formula C14H17N3O2
InChI InChI=1S/C14H17N3O2/c1-2-3-10-19-13-6-4-12(5-7-13)11-16-17-14(18)8-9-15/h4-7,11H,2-3,8,10H2,1H3,(H,17,18)/b16-11+
InChIKey LXXXEGYNPPMWEU-LFIBNONCSA-N
Molecular Weight 259.309 g/mol
SMILES CCCCOC1=CC=C(\C=N\NC(CC#N)=O)C=C1