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4-([3,4,4,4-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)benzoic acid

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4-([3,4,4,4-Tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)benzoic acid
SpectraBase Compound ID ADdzYZghJJt
InChI InChI=1S/C16H5F17O3/c17-10(13(22,23)24,14(25,26)27)7(11(18,15(28,29)30)16(31,32)33)8(12(19,20)21)36-6-3-1-5(2-4-6)9(34)35/h1-4H,(H,34,35)
InChIKey WZYJANZQIJZYAB-UHFFFAOYSA-N
Mol Weight 568.19 g/mol
Molecular Formula C16H5F17O3
Exact Mass 567.996723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aei9tnPzE5l
Name benzoic acid, 4-[[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.996722789 u
Formula C16H5F17O3
InChI InChI=1S/C16H5F17O3/c17-10(13(22,23)24,14(25,26)27)7(11(18,15(28,29)30)16(31,32)33)8(12(19,20)21)36-6-3-1-5(2-4-6)9(34)35/h1-4H,(H,34,35)
InChIKey WZYJANZQIJZYAB-UHFFFAOYSA-N
Molecular Weight 568.186 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7799
Solvent DMSO-d6
Source Vendor ID: NMR/10231283; Lab Info: PII; Lab Number: PII-0000026
Temperature 29.85 °C