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1,2-Dibromo-4,5-bis(phenoxymethyl)benzene

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

1,2-Dibromo-4,5-bis(phenoxymethyl)benzene
SpectraBase Compound ID 1n8x9NzVOVm
InChI InChI=1S/C20H16Br2O2/c21-19-11-15(13-23-17-7-3-1-4-8-17)16(12-20(19)22)14-24-18-9-5-2-6-10-18/h1-12H,13-14H2
InChIKey CFCIGGWAKNYXRJ-UHFFFAOYSA-N
Mol Weight 448.15 g/mol
Molecular Formula C20H16Br2O2
Exact Mass 445.951706 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K1kffPdSxR
Name 1,2-Dibromo-4,5-bis(phenoxymethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.951705753 u
Formula C20H16Br2O2
InChI InChI=1S/C20H16Br2O2/c21-19-11-15(13-23-17-7-3-1-4-8-17)16(12-20(19)22)14-24-18-9-5-2-6-10-18/h1-12H,13-14H2
InChIKey CFCIGGWAKNYXRJ-UHFFFAOYSA-N
Molecular Weight 448.154 g/mol
SMILES C=1(C(=CC(=C(C1)COC=1C=CC=CC1)COC=1C=CC=CC1)Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955405