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dof N,N-bis(3-Bromobenzyl)

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

dof N,N-bis(3-Bromobenzyl)
SpectraBase Compound ID H5kVFWdmUzU
InChI InChI=1S/C25H26Br2FNO2/c1-17(10-20-13-25(31-3)23(28)14-24(20)30-2)29(15-18-6-4-8-21(26)11-18)16-19-7-5-9-22(27)12-19/h4-9,11-14,17H,10,15-16H2,1-3H3
InChIKey DTDDEZLYVZFZNU-UHFFFAOYSA-N
Mol Weight 551.29 g/mol
Molecular Formula C25H26Br2FNO2
Exact Mass 549.031433 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JMeRLZszVu
Name dof N,N-bis(3-Bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.031433242 u
Formula C25H26Br2FNO2
InChI InChI=1S/C25H26Br2FNO2/c1-17(10-20-13-25(31-3)23(28)14-24(20)30-2)29(15-18-6-4-8-21(26)11-18)16-19-7-5-9-22(27)12-19/h4-9,11-14,17H,10,15-16H2,1-3H3
InChIKey DTDDEZLYVZFZNU-UHFFFAOYSA-N
Molecular Weight 551.294 g/mol
SMILES C=1(C(=CC(=C(C1)OC)F)OC)CC(N(CC=1C=C(C=CC1)Br)CC=1C=C(C=CC1)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873525