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4-Bromo-alpha-phenethylamine N,N-bis(3-methoxybenzyl)

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

4-Bromo-alpha-phenethylamine N,N-bis(3-methoxybenzyl)
SpectraBase Compound ID 1hierWkI3ed
InChI InChI=1S/C24H26BrNO2/c1-18(21-10-12-22(25)13-11-21)26(16-19-6-4-8-23(14-19)27-2)17-20-7-5-9-24(15-20)28-3/h4-15,18H,16-17H2,1-3H3
InChIKey XYFNNSILNRWFGW-UHFFFAOYSA-N
Mol Weight 440.38 g/mol
Molecular Formula C24H26BrNO2
Exact Mass 439.114692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BS2cpAPzVbR
Name 4-Bromo-alpha-phenethylamine N,N-bis(3-methoxybenzyl)
Comments Computed using HOSE algorithm
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Exact Mass 439.114692079 u
Formula C24H26BrNO2
InChI InChI=1S/C24H26BrNO2/c1-18(21-10-12-22(25)13-11-21)26(16-19-6-4-8-23(14-19)27-2)17-20-7-5-9-24(15-20)28-3/h4-15,18H,16-17H2,1-3H3
InChIKey XYFNNSILNRWFGW-UHFFFAOYSA-N
Molecular Weight 440.381 g/mol
SMILES C(N(CC1=CC(=CC=C1)OC)CC=1C=C(C=CC1)OC)(C1=CC=C(C=C1)Br)C