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1-(4-(Tert-butyl)phenoxy)-2-(trifluoromethyl)benzene

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

1-(4-(Tert-butyl)phenoxy)-2-(trifluoromethyl)benzene
SpectraBase Compound ID 171nccAhXg5
InChI InChI=1S/C17H17F3O/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-11H,1-3H3
InChIKey FPZXKAZSKVJKSJ-UHFFFAOYSA-N
Mol Weight 294.32 g/mol
Molecular Formula C17H17F3O
Exact Mass 294.12315 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B3GRiuhHjME
Name 1-(4-(Tert-butyl)phenoxy)-2-(trifluoromethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.123149655 u
Formula C17H17F3O
InChI InChI=1S/C17H17F3O/c1-16(2,3)12-8-10-13(11-9-12)21-15-7-5-4-6-14(15)17(18,19)20/h4-11H,1-3H3
InChIKey FPZXKAZSKVJKSJ-UHFFFAOYSA-N
Molecular Weight 294.317 g/mol
SMILES C=1C=C(OC=2C=CC(=CC2)C(C)(C)C)C(=CC1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889116