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3-Bromo-2,2'-dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]

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

3-Bromo-2,2'-dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]
SpectraBase Compound ID GnJ7TZ5PEuS
InChI InChI=1S/C16H17BrO2/c1-10-5-6-15(18-3)12(7-10)13-8-11(2)9-14(17)16(13)19-4/h5-9H,1-4H3
InChIKey QXVNYQZZCBLDFK-UHFFFAOYSA-N
Mol Weight 321.21 g/mol
Molecular Formula C16H17BrO2
Exact Mass 320.041193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 90BnbBiXpKY
Name 3-Bromo-2,2'-dimethoxy-5,5'-dimethyl-[1,1'-biphenyl]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.041192785 u
Formula C16H17BrO2
InChI InChI=1S/C16H17BrO2/c1-10-5-6-15(18-3)12(7-10)13-8-11(2)9-14(17)16(13)19-4/h5-9H,1-4H3
InChIKey QXVNYQZZCBLDFK-UHFFFAOYSA-N
Molecular Weight 321.214 g/mol
SMILES C=1(C=2C(=CC=C(C2)C)OC)C(=C(Br)C=C(C1)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926541