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5-Apdb N,N-bis(3-bromobenzyl)

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5-Apdb N,N-bis(3-bromobenzyl)
SpectraBase Compound ID Jf2BtX4m1JB
InChI InChI=1S/C25H25Br2NO/c1-18(12-19-8-9-25-22(13-19)10-11-29-25)28(16-20-4-2-6-23(26)14-20)17-21-5-3-7-24(27)15-21/h2-9,13-15,18H,10-12,16-17H2,1H3
InChIKey BSVZFMZDBYEEOO-UHFFFAOYSA-N
Mol Weight 515.29 g/mol
Molecular Formula C25H25Br2NO
Exact Mass 513.03029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtQac6KFHFS
Name 5-Apdb N,N-bis(3-bromobenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.030290428 u
Formula C25H25Br2NO
InChI InChI=1S/C25H25Br2NO/c1-18(12-19-8-9-25-22(13-19)10-11-29-25)28(16-20-4-2-6-23(26)14-20)17-21-5-3-7-24(27)15-21/h2-9,13-15,18H,10-12,16-17H2,1H3
InChIKey BSVZFMZDBYEEOO-UHFFFAOYSA-N
Molecular Weight 515.289 g/mol
SMILES C(N(CC=1C=C(C=CC1)Br)CC=1C=C(C=CC1)Br)(CC=1C=C2C(=CC1)OCC2)C