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1-piperazinamine, N-[(E)-(3-bromophenyl)methylidene]-4-(1-naphthalenylmethyl)-
SpectraBase Compound ID JsXpgp3U6Ki
InChI InChI=1S/C22H22BrN3/c23-21-9-3-5-18(15-21)16-24-26-13-11-25(12-14-26)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b24-16+
InChIKey QZWVNVNJWPVUKH-LFVJCYFKSA-N
Mol Weight 408.34 g/mol
Molecular Formula C22H22BrN3
Exact Mass 407.099711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UEHkspuDrx
Name 1-Piperazinamine, N-[(E)-(3-bromophenyl)methylidene]-4-(1-naphthalenylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 407.099710720 u
Formula C22H22BrN3
InChI InChI=1S/C22H22BrN3/c23-21-9-3-5-18(15-21)16-24-26-13-11-25(12-14-26)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15-16H,11-14,17H2/b24-16+
InChIKey QZWVNVNJWPVUKH-LFVJCYFKSA-N
Molecular Weight 408.343 g/mol
SMILES C=1C=CC=2C(CN3CCN(\N=C\C=4C=C(Br)C=CC4)CC3)=CC=CC2C1