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2,4-Dichlorophenethylamine N,N-bis(4-bromobenzyl)

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2,4-Dichlorophenethylamine N,N-bis(4-bromobenzyl)
SpectraBase Compound ID 9UUseqYe8tp
InChI InChI=1S/C22H19Br2Cl2N/c23-19-6-1-16(2-7-19)14-27(15-17-3-8-20(24)9-4-17)12-11-18-5-10-21(25)13-22(18)26/h1-10,13H,11-12,14-15H2
InChIKey FQKQNFZPLJZFJI-UHFFFAOYSA-N
Mol Weight 528.12 g/mol
Molecular Formula C22H19Br2Cl2N
Exact Mass 524.926131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcxhPWuVMEf
Name 2,4-Dichlorophenethylamine N,N-bis(4-bromobenzyl)
Comments Computed using HOSE algorithm
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Exact Mass 524.926131016 u
Formula C22H19Br2Cl2N
InChI InChI=1S/C22H19Br2Cl2N/c23-19-6-1-16(2-7-19)14-27(15-17-3-8-20(24)9-4-17)12-11-18-5-10-21(25)13-22(18)26/h1-10,13H,11-12,14-15H2
InChIKey FQKQNFZPLJZFJI-UHFFFAOYSA-N
Molecular Weight 528.115 g/mol
SMILES C=1(C(=CC(=CC1)Cl)Cl)CCN(CC=1C=CC(=CC1)Br)CC1=CC=C(C=C1)Br