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1,3-Di-tert-butyl-5-methyl-2-(trifluoromethoxy)benzene

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

1,3-Di-tert-butyl-5-methyl-2-(trifluoromethoxy)benzene
SpectraBase Compound ID Fz26hfDTTTY
InChI InChI=1S/C16H23F3O/c1-10-8-11(14(2,3)4)13(20-16(17,18)19)12(9-10)15(5,6)7/h8-9H,1-7H3
InChIKey WJMKOJLSRKKXPR-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H23F3O
Exact Mass 288.1701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C0cKfYyL1F9
Name 1,3-Ditert-butyl-5-methyl-2-(trifluoromethoxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.170099849 u
Formula C16H23F3O
InChI InChI=1S/C16H23F3O/c1-10-8-11(14(2,3)4)13(20-16(17,18)19)12(9-10)15(5,6)7/h8-9H,1-7H3
InChIKey WJMKOJLSRKKXPR-UHFFFAOYSA-N
Molecular Weight 288.354 g/mol
SMILES C1(=C(C(=CC(=C1)C)C(C)(C)C)OC(F)(F)F)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817301