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2'-Bromo-3,3''-dimethyl-1,1':3',1''-terphenyl

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

2'-Bromo-3,3''-dimethyl-1,1':3',1''-terphenyl
SpectraBase Compound ID C0nGVCl0KjL
InChI InChI=1S/C20H17Br/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3
InChIKey JFGFYZCDCMTWBJ-UHFFFAOYSA-N
Mol Weight 337.26 g/mol
Molecular Formula C20H17Br
Exact Mass 336.051364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CSiIxPcL59U
Name 2'-Bromo-3,3''-dimethyl-1,1':3',1''-terphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.051363547 u
Formula C20H17Br
InChI InChI=1S/C20H17Br/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3
InChIKey JFGFYZCDCMTWBJ-UHFFFAOYSA-N
Molecular Weight 337.260 g/mol
SMILES C=1(C(C=2C=C(C)C=CC2)=CC=CC1C=1C=C(C)C=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888548