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1,4-bis-(5-Bromopentyl)-2,3,5,6-tetramethylbenzene

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

1,4-bis-(5-Bromopentyl)-2,3,5,6-tetramethylbenzene
SpectraBase Compound ID HygzoQw7TTM
InChI InChI=1S/C20H32Br2/c1-15-16(2)20(12-8-6-10-14-22)18(4)17(3)19(15)11-7-5-9-13-21/h5-14H2,1-4H3
InChIKey RSRYXEVGEIWSDH-UHFFFAOYSA-N
Mol Weight 432.3 g/mol
Molecular Formula C20H32Br2
Exact Mass 430.087077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IzyUXMO3Sgk
Name 1,4-bis-(5-Bromopentyl)-2,3,5,6-tetramethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.087077030 u
Formula C20H32Br2
InChI InChI=1S/C20H32Br2/c1-15-16(2)20(12-8-6-10-14-22)18(4)17(3)19(15)11-7-5-9-13-21/h5-14H2,1-4H3
InChIKey RSRYXEVGEIWSDH-UHFFFAOYSA-N
Molecular Weight 432.284 g/mol
SMILES C(Br)CCCCC1=C(C)C(C)=C(CCCCCBr)C(C)=C1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945805