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2-(4-(2-Bromophenoxy)butyl)-1,3,5-trimethylbenzene

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

2-(4-(2-Bromophenoxy)butyl)-1,3,5-trimethylbenzene
SpectraBase Compound ID 5K3Fl4K1sog
InChI InChI=1S/C19H23BrO/c1-14-12-15(2)17(16(3)13-14)8-6-7-11-21-19-10-5-4-9-18(19)20/h4-5,9-10,12-13H,6-8,11H2,1-3H3
InChIKey GDYWXAQCDQNBBV-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C19H23BrO
Exact Mass 346.093228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2zghCypDKbR
Name 2-(4-(2-Bromophenoxy)butyl)-1,3,5-trimethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.093228360 u
Formula C19H23BrO
InChI InChI=1S/C19H23BrO/c1-14-12-15(2)17(16(3)13-14)8-6-7-11-21-19-10-5-4-9-18(19)20/h4-5,9-10,12-13H,6-8,11H2,1-3H3
InChIKey GDYWXAQCDQNBBV-UHFFFAOYSA-N
Molecular Weight 347.296 g/mol
SMILES C=1(C)C(=C(C)C=C(C1)C)CCCCOC1=C(C=CC=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933018