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2-Bromo-1,3-di-t-butyl-5-iodobenzene

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

2-Bromo-1,3-di-t-butyl-5-iodobenzene
SpectraBase Compound ID 8jbudEHzZ5Y
InChI InChI=1S/C14H20BrI/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8H,1-6H3
InChIKey NYYLJTGFNZBELS-UHFFFAOYSA-N
Mol Weight 395.12 g/mol
Molecular Formula C14H20BrI
Exact Mass 393.979309 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HmoZ2DBwWeD
Name 2-Bromo-1,3-di-T-butyl-5-iodobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.979308644 u
Formula C14H20BrI
InChI InChI=1S/C14H20BrI/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8H,1-6H3
InChIKey NYYLJTGFNZBELS-UHFFFAOYSA-N
Molecular Weight 395.122 g/mol
SMILES C=1(C(=C(C=C(C1)I)C(C)(C)C)Br)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944236