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2-propenoic acid, 3-fluoro-3-[(2-oxopropyl)thio]-2-(trifluoromethyl)-,methyl ester, (2E)-
SpectraBase Compound ID A7eIPbBu4dG
InChI InChI=1S/C8H8F4O3S/c1-4(13)3-16-6(9)5(7(14)15-2)8(10,11)12/h3H2,1-2H3/b6-5+
InChIKey IYEXWIVQMAABAA-AATRIKPKSA-N
Mol Weight 260.2 g/mol
Molecular Formula C8H8F4O3S
Exact Mass 260.013028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HVS8rhVyrub
Name 2-propenoic acid, 3-fluoro-3-[(2-oxopropyl)thio]-2-(trifluoromethyl)-,methyl ester, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.013027941 u
Formula C8H8F4O3S
InChI InChI=1S/C8H8F4O3S/c1-4(13)3-16-6(9)5(7(14)15-2)8(10,11)12/h3H2,1-2H3/b6-5+
InChIKey IYEXWIVQMAABAA-AATRIKPKSA-N
Molecular Weight 260.203 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15543
Solvent DMSO-d6
Source Vendor ID: ZI/10039770; Lab Info: SIZ; Lab Number: SIZ-0417008