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1-piperazinamine, N-[(E)-(2-bromophenyl)methylidene]-4-(1-naphthalenylmethyl)-
SpectraBase Compound ID KvB1zXq6LEB
InChI InChI=1S/C22H22BrN3/c23-22-11-4-2-7-19(22)16-24-26-14-12-25(13-15-26)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2/b24-16+
InChIKey OQUGUTYJRRHBKG-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 8v4amtpzBzb
Name 1-Piperazinamine, N-[(E)-(2-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/c23-22-11-4-2-7-19(22)16-24-26-14-12-25(13-15-26)17-20-9-5-8-18-6-1-3-10-21(18)20/h1-11,16H,12-15,17H2/b24-16+
InChIKey OQUGUTYJRRHBKG-LFVJCYFKSA-N
Molecular Weight 408.343 g/mol
SMILES C=1C=CC=2C(CN3CCN(\N=C\C=4C(Br)=CC=CC4)CC3)=CC=CC2C1