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N,N-Dibenzyl-2-bromo-4,5-dimethoxyamphetamine

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

N,N-Dibenzyl-2-bromo-4,5-dimethoxyamphetamine
SpectraBase Compound ID 1pKa5WOA6Xf
InChI InChI=1S/C25H28BrNO2/c1-19(14-22-15-24(28-2)25(29-3)16-23(22)26)27(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey CMRCYJITQPBGDA-UHFFFAOYSA-N
Mol Weight 454.41 g/mol
Molecular Formula C25H28BrNO2
Exact Mass 453.130342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41su23e2wlP
Name N,N-Dibenzyl-2-bromo-4,5-dimethoxyamphetamine
Comments Computed using HOSE algorithm
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Exact Mass 453.130342144 u
Formula C25H28BrNO2
InChI InChI=1S/C25H28BrNO2/c1-19(14-22-15-24(28-2)25(29-3)16-23(22)26)27(17-20-10-6-4-7-11-20)18-21-12-8-5-9-13-21/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey CMRCYJITQPBGDA-UHFFFAOYSA-N
Molecular Weight 454.408 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OC)Br)CC(N(CC=1C=CC=CC1)CC1=CC=CC=C1)C