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1-piperazinamine, N-[(E)-[4-(diethylamino)phenyl]methylidene]-4-(2-pyridinyl)-
SpectraBase Compound ID 1ytpvmniIWT
InChI InChI=1S/C20H27N5/c1-3-23(4-2)19-10-8-18(9-11-19)17-22-25-15-13-24(14-16-25)20-7-5-6-12-21-20/h5-12,17H,3-4,13-16H2,1-2H3/b22-17+
InChIKey RWABKCTVSRVHKA-OQKWZONESA-N
Mol Weight 337.47 g/mol
Molecular Formula C20H27N5
Exact Mass 337.226646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LetMwbwBhZR
Name 1-Piperazinamine, N-[(E)-[4-(diethylamino)phenyl]methylidene]-4-(2-pyridinyl)-
Comments Computed using HOSE algorithm
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Exact Mass 337.226645889 u
Formula C20H27N5
InChI InChI=1S/C20H27N5/c1-3-23(4-2)19-10-8-18(9-11-19)17-22-25-15-13-24(14-16-25)20-7-5-6-12-21-20/h5-12,17H,3-4,13-16H2,1-2H3/b22-17+
InChIKey RWABKCTVSRVHKA-OQKWZONESA-N
Molecular Weight 337.471 g/mol
SMILES C=1C=CC(N2CCN(CC2)\N=C\C=2C=CC(=CC2)N(CC)CC)=NC1