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1,3,5-Tris(1-bromo-2,2-dimethlpropyl)benzene

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

1,3,5-Tris(1-bromo-2,2-dimethlpropyl)benzene
SpectraBase Compound ID HrBqtEu5RhW
InChI InChI=1S/C21H33Br3/c1-19(2,13-22)10-16-7-17(11-20(3,4)14-23)9-18(8-16)12-21(5,6)15-24/h7-9H,10-15H2,1-6H3
InChIKey XRCKVXGJJACWKP-UHFFFAOYSA-N
Mol Weight 525.2 g/mol
Molecular Formula C21H33Br3
Exact Mass 522.01324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EWM8g0o66GN
Name 1,3,5-Tris(1-bromo-2,2-dimethlpropyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.013240063 u
Formula C21H33Br3
InChI InChI=1S/C21H33Br3/c1-19(2,13-22)10-16-7-17(11-20(3,4)14-23)9-18(8-16)12-21(5,6)15-24/h7-9H,10-15H2,1-6H3
InChIKey XRCKVXGJJACWKP-UHFFFAOYSA-N
Molecular Weight 525.207 g/mol
SMILES C1(=CC(CC(CBr)(C)C)=CC(=C1)CC(CBr)(C)C)CC(CBr)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953449