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4-(4-chlorophenyl)-N-[(E)-(5-methyl-2-furyl)methylidene]-1-piperazinamine

View entire compound with spectra: 2 NMR

4-(4-chlorophenyl)-N-[(E)-(5-methyl-2-furyl)methylidene]-1-piperazinamine
SpectraBase Compound ID 61Dj431Gvml
InChI InChI=1S/C16H18ClN3O/c1-13-2-7-16(21-13)12-18-20-10-8-19(9-11-20)15-5-3-14(17)4-6-15/h2-7,12H,8-11H2,1H3/b18-12+
InChIKey HGPCPDZFLVJYSG-LDADJPATSA-N
Mol Weight 303.79 g/mol
Molecular Formula C16H18ClN3O
Exact Mass 303.11384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsRd0fXH06e
Name 4-(4-Chlorophenyl)-N-[(E)-(5-methyl-2-furyl)methylidene]-1-piperazinamine
Comments Computed using HOSE algorithm
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Exact Mass 303.113839911 u
Formula C16H18ClN3O
InChI InChI=1S/C16H18ClN3O/c1-13-2-7-16(21-13)12-18-20-10-8-19(9-11-20)15-5-3-14(17)4-6-15/h2-7,12H,8-11H2,1H3/b18-12+
InChIKey HGPCPDZFLVJYSG-LDADJPATSA-N
Molecular Weight 303.793 g/mol
SMILES CC=1OC(\C=N\N2CCN(C=3C=CC(=CC3)Cl)CC2)=CC1