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4-Chloro-2,6-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenol

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

4-Chloro-2,6-bis-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenol
SpectraBase Compound ID KrjA3dO6v6x
InChI InChI=1S/C12H5ClF12O3/c13-3-1-4(7(27,9(14,15)16)10(17,18)19)6(26)5(2-3)8(28,11(20,21)22)12(23,24)25/h1-2,26-28H
InChIKey CUCULWKIVIMBBT-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C12H5ClF12O3
Exact Mass 459.97356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7yqlMk2hT3I
Name 1,3-benzenedimethanol, 5-chloro-2-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 459.973559674 u
Formula C12H5ClF12O3
InChI InChI=1S/C12H5ClF12O3/c13-3-1-4(7(27,9(14,15)16)10(17,18)19)6(26)5(2-3)8(28,11(20,21)22)12(23,24)25/h1-2,26-28H
InChIKey CUCULWKIVIMBBT-UHFFFAOYSA-N
Molecular Weight 460.603 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17373
Solvent DMSO-d6
Source Vendor ID: ZI/10036072; Lab Info: DYA; Lab Number: DYA-0000197