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2-[(3E)-2,2-Dimethyl-4-(phenylsulfanyl)but-3-enoyl]phenyltrifluoromethanesulfonate
SpectraBase Compound ID IPpNW7cznLd
InChI InChI=1S/C19H17F3O4S2/c1-18(2,12-13-27-14-8-4-3-5-9-14)17(23)15-10-6-7-11-16(15)26-28(24,25)19(20,21)22/h3-13H,1-2H3/b13-12+
InChIKey PYTNKXXCBAPQHY-OUKQBFOZSA-N
Mol Weight 430.46 g/mol
Molecular Formula C19H17F3O4S2
Exact Mass 430.052036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7AzpvzmPV3
Name 2-[(3E)-2,2-Dimethyl-4-(phenylsulfanyl)but-3-enoyl]phenyltrifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3O4S2
InChI InChI=1S/C19H17F3O4S2/c1-18(2,12-13-27-14-8-4-3-5-9-14)17(23)15-10-6-7-11-16(15)26-28(24,25)19(20,21)22/h3-13H,1-2H3/b13-12+
InChIKey PYTNKXXCBAPQHY-OUKQBFOZSA-N
Literature Reference DOI 10.1021/acs.joc.5b02350
Molecular Weight 430.456 g/mol
SMILES c1(OS(C(F)(F)F)(=O)=O)ccccc1C(=O)C(\C=C\Sc1ccccc1)(C)C
SPLASH splash10-004i-0900000000-a9b18de79d19b3e0a12d
Source of Spectrum J-81-1399-30
Synonyms (E)-2-(2,2-dimethyl-4-(phenylthio)but-3-enoyl)phenyl trifluoromethanesulfonate
Wiley ID 1804318