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3-Fluoro-3-(4-hydroxy-3,5-dimethyl-phenylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID 3AZQnT5D7Tk
InChI InChI=1S/C13H12F4O3S/c1-6-4-8(5-7(2)10(6)18)21-11(14)9(12(19)20-3)13(15,16)17/h4-5,18H,1-3H3/b11-9+
InChIKey WYVZUWOMKMJFHS-PKNBQFBNSA-N
Mol Weight 324.29 g/mol
Molecular Formula C13H12F4O3S
Exact Mass 324.044328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FiwlwD7rT1l
Name 2-propenoic acid, 3-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)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 324.044328069 u
Formula C13H12F4O3S
InChI InChI=1S/C13H12F4O3S/c1-6-4-8(5-7(2)10(6)18)21-11(14)9(12(19)20-3)13(15,16)17/h4-5,18H,1-3H3/b11-9+
InChIKey WYVZUWOMKMJFHS-PKNBQFBNSA-N
Molecular Weight 324.290 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15515
Solvent DMSO-d6
Source Vendor ID: ZI/10037676; Lab Info: SIZ; Lab Number: SIZ-0417013