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1-(4-(Tert-butyl)phenyl)-4,4,4-trifluorobutan-1-ol

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

1-(4-(Tert-butyl)phenyl)-4,4,4-trifluorobutan-1-ol
SpectraBase Compound ID 5syGabSunQ8
InChI InChI=1S/C14H19F3O/c1-13(2,3)11-6-4-10(5-7-11)12(18)8-9-14(15,16)17/h4-7,12,18H,8-9H2,1-3H3
InChIKey LJFIVBNAFIYJPO-UHFFFAOYSA-N
Mol Weight 260.3 g/mol
Molecular Formula C14H19F3O
Exact Mass 260.1388 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kbst9TcjFIl
Name 1-(4-(Tert-butyl)phenyl)-4,4,4-trifluorobutan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.138799720 u
Formula C14H19F3O
InChI InChI=1S/C14H19F3O/c1-13(2,3)11-6-4-10(5-7-11)12(18)8-9-14(15,16)17/h4-7,12,18H,8-9H2,1-3H3
InChIKey LJFIVBNAFIYJPO-UHFFFAOYSA-N
Molecular Weight 260.300 g/mol
SMILES C(CCC(F)(F)F)(O)C=1C=CC(=CC1)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860753