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1-(4-Bromophenyl)ethylamine N,N-bis(4-bromobenzyl)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Bromophenyl)ethylamine N,N-bis(4-bromobenzyl)
SpectraBase Compound ID 4cctrLb67W4
InChI InChI=1S/C22H20Br3N/c1-16(19-6-12-22(25)13-7-19)26(14-17-2-8-20(23)9-3-17)15-18-4-10-21(24)11-5-18/h2-13,16H,14-15H2,1H3
InChIKey DBGZLXGPSXNIAJ-UHFFFAOYSA-N
Mol Weight 538.12 g/mol
Molecular Formula C22H20Br3N
Exact Mass 534.914589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 273WDsGC7K5
Name 1-(4-Bromophenyl)ethylamine N,N-bis(4-bromobenzyl)
Comments Computed using HOSE algorithm
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Exact Mass 534.914588648 u
Formula C22H20Br3N
InChI InChI=1S/C22H20Br3N/c1-16(19-6-12-22(25)13-7-19)26(14-17-2-8-20(23)9-3-17)15-18-4-10-21(24)11-5-18/h2-13,16H,14-15H2,1H3
InChIKey DBGZLXGPSXNIAJ-UHFFFAOYSA-N
Molecular Weight 538.121 g/mol
SMILES C(N(CC1=CC=C(C=C1)Br)CC=1C=CC(=CC1)Br)(C1=CC=C(C=C1)Br)C