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2-methoxy-4-((E)-{[4-(2-pyridinyl)-1-piperazinyl]imino}methyl)phenol
SpectraBase Compound ID KLsFDIx1m5t
InChI InChI=1S/C17H20N4O2/c1-23-16-12-14(5-6-15(16)22)13-19-21-10-8-20(9-11-21)17-4-2-3-7-18-17/h2-7,12-13,22H,8-11H2,1H3/b19-13+
InChIKey SUWCQNXWQMZJML-CPNJWEJPSA-N
Mol Weight 312.37 g/mol
Molecular Formula C17H20N4O2
Exact Mass 312.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3H7Dt1A8sCZ
Name 2-Methoxy-4-((E)-{[4-(2-pyridinyl)-1-piperazinyl]imino}methyl)phenol
Comments Computed using HOSE algorithm
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Exact Mass 312.158625898 u
Formula C17H20N4O2
InChI InChI=1S/C17H20N4O2/c1-23-16-12-14(5-6-15(16)22)13-19-21-10-8-20(9-11-21)17-4-2-3-7-18-17/h2-7,12-13,22H,8-11H2,1H3/b19-13+
InChIKey SUWCQNXWQMZJML-CPNJWEJPSA-N
Molecular Weight 312.373 g/mol
SMILES OC1=CC=C(C=C1OC)\C=N\N1CCN(C2=NC=CC=C2)CC1