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5-[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)but-1-enoxy]isophthalic acid

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5-[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)but-1-enoxy]isophthalic acid
SpectraBase Compound ID HdcUwXF8Nqs
InChI InChI=1S/C17H5F17O5/c18-11(14(23,24)25,15(26,27)28)7(12(19,16(29,30)31)17(32,33)34)8(13(20,21)22)39-6-2-4(9(35)36)1-5(3-6)10(37)38/h1-3H,(H,35,36)(H,37,38)
InChIKey LDLRRXSIVVBDSG-UHFFFAOYSA-N
Mol Weight 612.19 g/mol
Molecular Formula C17H5F17O5
Exact Mass 611.986552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2BaSFpOF27p
Name 1,3-benzenedicarboxylic acid, 5-[[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 611.986552027 u
Formula C17H5F17O5
InChI InChI=1S/C17H5F17O5/c18-11(14(23,24)25,15(26,27)28)7(12(19,16(29,30)31)17(32,33)34)8(13(20,21)22)39-6-2-4(9(35)36)1-5(3-6)10(37)38/h1-3H,(H,35,36)(H,37,38)
InChIKey LDLRRXSIVVBDSG-UHFFFAOYSA-N
Molecular Weight 612.195 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16069
Solvent DMSO-d6
Source Vendor ID: NMR/10231282; Lab Info: PII; Lab Number: PII-0000025