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5-Fluoro-2,4-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenol

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-Fluoro-2,4-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenol
SpectraBase Compound ID LqvLQBRl0ZC
InChI InChI=1S/C12H5F13O3/c13-5-2-6(26)4(8(28,11(20,21)22)12(23,24)25)1-3(5)7(27,9(14,15)16)10(17,18)19/h1-2,26-28H
InChIKey SRCIPCBMDVGBKL-UHFFFAOYSA-N
Mol Weight 444.15 g/mol
Molecular Formula C12H5F13O3
Exact Mass 444.00311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WZj92o2kiE
Name 1,3-benzenedimethanol, 4-fluoro-6-hydroxy-alpha~1~,alpha~1~,alpha~3~,alpha~3~-tetrakis(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.003110137 u
Formula C12H5F13O3
InChI InChI=1S/C12H5F13O3/c13-5-2-6(26)4(8(28,11(20,21)22)12(23,24)25)1-3(5)7(27,9(14,15)16)10(17,18)19/h1-2,26-28H
InChIKey SRCIPCBMDVGBKL-UHFFFAOYSA-N
Molecular Weight 444.148 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17380
Solvent DMSO-d6
Source Vendor ID: ZI/10036493; Lab Info: DYA; Lab Number: DYA-0000195