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1,1':3',1''-Terphenyl, 2,6-bis(bromomethyl)-

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

1,1':3',1''-Terphenyl, 2,6-bis(bromomethyl)-
SpectraBase Compound ID JpSmTFcehGA
InChI InChI=1S/C20H16Br2/c21-13-18-10-5-11-19(14-22)20(18)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKey ORYPFYGNEQBHNK-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 GPd10azC0IO
Name 1,1':3',1''-Terphenyl, 2,6-bis(bromomethyl)-
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/c21-13-18-10-5-11-19(14-22)20(18)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKey ORYPFYGNEQBHNK-UHFFFAOYSA-N
Molecular Weight 416.156 g/mol
SMILES C=1(C2=C(CBr)C=CC=C2CBr)C=C(C=2C=CC=CC2)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868822