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Benzoic acid 3-methyl-4-(1,3,3,3-tetrafluoro-2-methoxycarbonyl-propenylsulfanyl)-phenyl ester
SpectraBase Compound ID 8MPpbMSOE8Z
InChI InChI=1S/C19H14F4O4S/c1-11-10-13(27-17(24)12-6-4-3-5-7-12)8-9-14(11)28-16(20)15(18(25)26-2)19(21,22)23/h3-10H,1-2H3/b16-15+
InChIKey DVPPRUYHTYYJMH-FOCLMDBBSA-N
Mol Weight 414.37 g/mol
Molecular Formula C19H14F4O4S
Exact Mass 414.054893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHN3TNsT1BO
Name Benzoic acid 3-methyl-4-(1,3,3,3-tetrafluoro-2-methoxycarbonyl-propenylsulfanyl)-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F4O4S
InChI InChI=1S/C19H14F4O4S/c1-11-10-13(27-17(24)12-6-4-3-5-7-12)8-9-14(11)28-16(20)15(18(25)26-2)19(21,22)23/h3-10H,1-2H3/b16-15+
InChIKey DVPPRUYHTYYJMH-FOCLMDBBSA-N
Molecular Weight 414.371 g/mol
SMILES COC(\C(=C/(Sc1c(cc(cc1)OC(c1ccccc1)=O)C)F)C(F)(F)F)=O
SPLASH splash10-0a4i-4900000000-b21ccd242452943af946
Synonyms benzoic acid [3-methyl-4-[[(E)-1,3,3,3-tetrafluoro-2-methoxycarbonylprop-1-enyl]thio]phenyl] ester [3-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methoxycarbonylprop-1-enyl]sulfanylphenyl] benzoate [3-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methoxycarbonyl-prop-1-enyl]sulfanyl-phenyl] benzoate [3-methyl-4-[(E)-1,3,3,3-tetrakis(fluoranyl)-2-methoxycarbonyl-prop-1-enyl]sulfanyl-phenyl] benzoate
Wiley ID 1463122