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1,3,5-Tris(3-methylbutyloxy)benzene

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3,5-Tris(3-methylbutyloxy)benzene
SpectraBase Compound ID CKmPY1vkskX
InChI InChI=1S/C21H36O3/c1-16(2)7-10-22-19-13-20(23-11-8-17(3)4)15-21(14-19)24-12-9-18(5)6/h13-18H,7-12H2,1-6H3
InChIKey WMTAYOAKWZZOFK-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FnLnlxmKG3A
Name 1,3,5-Tris(3-methylbutyloxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.266445016 u
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-16(2)7-10-22-19-13-20(23-11-8-17(3)4)15-21(14-19)24-12-9-18(5)6/h13-18H,7-12H2,1-6H3
InChIKey WMTAYOAKWZZOFK-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES C1(=CC(=CC(=C1)OCCC(C)C)OCCC(C)C)OCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826576