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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37NSGpwBwU0
Name 3-Fluoro-3-(4-hydroxy-3,5-dimethyl-phenylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES Oc1c(cc(S\C(=C\(C(F)(F)F)C(=O)OC)F)cc1C)C
SPLASH splash10-060c-9431000000-bceb7067b3752b0fbf24
Synonyms (E)-3-fluoro-3-[(4-hydroxy-3,5-dimethyl-phenyl)thio]-2-(trifluoromethyl)acrylic acid methyl ester (E)-3-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)thio]-2-(trifluoromethyl)-2-propenoic acid methyl ester Methyl (2E)-3-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)sulfanyl]-2-(trifluoromethyl)-2-propenoate Methyl (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)sulfanyl-3-fluoranyl-2-(trifluoromethyl)prop-2-enoate Methyl (E)-3-fluoro-3-(4-hydroxy-3,5-dimethyl-phenyl)sulfanyl-2-(trifluoromethyl)prop-2-enoate
Wiley ID 1463104