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acetic acid, [3-hydroxy-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenoxy]-, ethyl ester
SpectraBase Compound ID 42Jci2OjTJY
InChI InChI=1S/C13H12F6O5/c1-2-23-10(21)6-24-7-3-4-8(9(20)5-7)11(22,12(14,15)16)13(17,18)19/h3-5,20,22H,2,6H2,1H3
InChIKey BQLVJAWHWRHIFD-UHFFFAOYSA-N
Mol Weight 362.22 g/mol
Molecular Formula C13H12F6O5
Exact Mass 362.058892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HcD2foOqYoL
Name acetic acid, [3-hydroxy-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenoxy]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.058892459 u
Formula C13H12F6O5
InChI InChI=1S/C13H12F6O5/c1-2-23-10(21)6-24-7-3-4-8(9(20)5-7)11(22,12(14,15)16)13(17,18)19/h3-5,20,22H,2,6H2,1H3
InChIKey BQLVJAWHWRHIFD-UHFFFAOYSA-N
Molecular Weight 362.224 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17378
Solvent DMSO-d6
Source Vendor ID: ZI/10036250; Lab Info: DYA; Lab Number: DYA-0000188