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3C-E N,N-bis(4-bromobenzyl)

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

3C-E N,N-bis(4-bromobenzyl)
SpectraBase Compound ID HhrviRMSEbo
InChI InChI=1S/C28H34BrNO3/c1-6-33-28-26(31-4)16-24(17-27(28)32-5)15-21(3)30(18-22-9-7-20(2)8-10-22)19-23-11-13-25(29)14-12-23/h7-14,16-17,21H,6,15,18-19H2,1-5H3
InChIKey UXHSWXBSAMXUTD-UHFFFAOYSA-N
Mol Weight 512.5 g/mol
Molecular Formula C28H34BrNO3
Exact Mass 511.172207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eCb842eA55
Name 3C-E N,N-bis(4-Bromobenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.172206956 u
Formula C28H34BrNO3
InChI InChI=1S/C28H34BrNO3/c1-6-33-28-26(31-4)16-24(17-27(28)32-5)15-21(3)30(18-22-9-7-20(2)8-10-22)19-23-11-13-25(29)14-12-23/h7-14,16-17,21H,6,15,18-19H2,1-5H3
InChIKey UXHSWXBSAMXUTD-UHFFFAOYSA-N
Molecular Weight 512.488 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CC=1C=CC(=CC1)Br)CC1=CC=C(C=C1)C)C)OC)OCC