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1,2-Bis(2-bromobenzyl)benzene

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

1,2-Bis(2-bromobenzyl)benzene
SpectraBase Compound ID IQ5Zv4aRF3N
InChI InChI=1S/C20H16Br2/c21-19-11-5-3-9-17(19)13-15-7-1-2-8-16(15)14-18-10-4-6-12-20(18)22/h1-12H,13-14H2
InChIKey RAWXQIXQQFTPCZ-UHFFFAOYSA-N
Mol Weight 416.16 g/mol
Molecular Formula C20H16Br2
Exact Mass 413.961877 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIGbMwrKh2K
Name 1,2-bis(2-Bromobenzyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.961876515 u
Formula C20H16Br2
InChI InChI=1S/C20H16Br2/c21-19-11-5-3-9-17(19)13-15-7-1-2-8-16(15)14-18-10-4-6-12-20(18)22/h1-12H,13-14H2
InChIKey RAWXQIXQQFTPCZ-UHFFFAOYSA-N
Molecular Weight 416.156 g/mol
SMILES C(C=1C(CC=2C(Br)=CC=CC2)=CC=CC1)C=1C(Br)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976887