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alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol hydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol hydrate
SpectraBase Compound ID Dktk5GHlsAs
InChI InChI=1S/C12H6F12O2.O/c13-9(14,15)7(25,10(16,17)18)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24;/h1-4,25-26H;
InChIKey KHZWBOMEBVOYBJ-UHFFFAOYSA-N
Mol Weight 426.158 g/mol
Molecular Formula C12H6F12O3
Exact Mass 426.012532 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Do2sFuLOax1
Name alpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol hydrate
Source of Sample Aldrich
Catalog Number 386642
CAS Registry Number 304851-82-9
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F12O2*xH2O
InChI InChI=1S/C12H6F12O2.O/c13-9(14,15)7(25,10(16,17)18)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24;/h1-4,25-26H;
InChIKey KHZWBOMEBVOYBJ-UHFFFAOYSA-N
Purity 99%
Wiley ID SIAL_ATR-IR_018042