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2,2,2-Tribromo-1-(2,3,5,6-tetramethylphenyl)-1-ethanone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2,2,2-Tribromo-1-(2,3,5,6-tetramethylphenyl)-1-ethanone
SpectraBase Compound ID Ju5XNwymPxC
InChI InChI=1S/C12H13Br3O/c1-6-5-7(2)9(4)10(8(6)3)11(16)12(13,14)15/h5H,1-4H3
InChIKey XJIXFOIVNQEFRI-UHFFFAOYSA-N
Mol Weight 412.95 g/mol
Molecular Formula C12H13Br3O
Exact Mass 409.851654 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXxHZQm3vAo
Name 2,2,2-Tribromo-1-(2,3,5,6-tetramethylphenyl)-1-ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.851654038 u
Formula C12H13Br3O
InChI InChI=1S/C12H13Br3O/c1-6-5-7(2)9(4)10(8(6)3)11(16)12(13,14)15/h5H,1-4H3
InChIKey XJIXFOIVNQEFRI-UHFFFAOYSA-N
Molecular Weight 412.947 g/mol
SMILES c1c(c(c(c(c1C)C)C(=O)C(Br)(Br)Br)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90902