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3-Fluoro-3-(4-hydroxy-3-methyl-phenylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID 7scPr44lEH7
InChI InChI=1S/C12H10F4O3S/c1-6-5-7(3-4-8(6)17)20-10(13)9(11(18)19-2)12(14,15)16/h3-5,17H,1-2H3/b10-9+
InChIKey TXXKSWFYEFXBKC-MDZDMXLPSA-N
Mol Weight 310.26 g/mol
Molecular Formula C12H10F4O3S
Exact Mass 310.028678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DWzVvCeibxk
Name 2-propenoic acid, 3-fluoro-3-[(4-hydroxy-3-methylphenyl)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 310.028678005 u
Formula C12H10F4O3S
InChI InChI=1S/C12H10F4O3S/c1-6-5-7(3-4-8(6)17)20-10(13)9(11(18)19-2)12(14,15)16/h3-5,17H,1-2H3/b10-9+
InChIKey TXXKSWFYEFXBKC-MDZDMXLPSA-N
Molecular Weight 310.263 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15501
Solvent DMSO-d6
Source Vendor ID: ZI/10035568; Lab Info: SIZ; Lab Number: SIZ-0417023