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2-Bromo-1-(bromomethyl)-3,5-ditert-butylbenzene

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

2-Bromo-1-(bromomethyl)-3,5-ditert-butylbenzene
SpectraBase Compound ID CzbXkluNxxS
InChI InChI=1S/C15H22Br2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-8H,9H2,1-6H3
InChIKey DAYVCNVLNGJOIQ-UHFFFAOYSA-N
Mol Weight 362.15 g/mol
Molecular Formula C15H22Br2
Exact Mass 360.008827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7fkyDTyRG42
Name 2-Bromo-1-(bromomethyl)-3,5-ditert-butylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.008826708 u
Formula C15H22Br2
InChI InChI=1S/C15H22Br2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-8H,9H2,1-6H3
InChIKey DAYVCNVLNGJOIQ-UHFFFAOYSA-N
Molecular Weight 362.149 g/mol
SMILES C1(=C(C(CBr)=CC(=C1)C(C)(C)C)Br)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952507