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3-(1-Acetyl-2-oxo-propylsulfanyl)-3,3-difluoro-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID 1cjfxQnLXhn
InChI InChI=1S/C10H11F5O4S/c1-4(16)6(5(2)17)20-10(14,15)7(8(18)19-3)9(11,12)13/h6-7H,1-3H3
InChIKey UHBCHPAABXCBQC-UHFFFAOYSA-N
Mol Weight 322.25 g/mol
Molecular Formula C10H11F5O4S
Exact Mass 322.029821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpUwssCKAJH
Name 3-(1-Acetyl-2-oxo-propylsulfanyl)-3,3-difluoro-2-trifluoromethyl-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11F5O4S
InChI InChI=1S/C10H11F5O4S/c1-4(16)6(5(2)17)20-10(14,15)7(8(18)19-3)9(11,12)13/h6-7H,1-3H3
InChIKey UHBCHPAABXCBQC-UHFFFAOYSA-N
Molecular Weight 322.246 g/mol
SMILES COC(C(C(SC(C(=O)C)C(C)=O)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-9400000000-851346262156247eddfd
Synonyms 2-[(2,4-dioxopentan-3-ylthio)-difluoromethyl]-3,3,3-trifluoropropanoic acid methyl ester 2-[[(1-acetyl-2-keto-propyl)thio]-difluoro-methyl]-3,3,3-trifluoro-propionic acid methyl ester Methyl 2-[(1-acetyl-2-oxo-propyl)sulfanyl-difluoro-methyl]-3,3,3-trifluoro-propanoate Methyl 2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl-bis(fluoranyl)methyl]-3,3,3-tris(fluoranyl)propanoate Methyl 2-[2,4-dioxopentan-3-ylsulfanyl(difluoro)methyl]-3,3,3-trifluoropropanoate Methyl 3-[(1-acetyl-2-oxopropyl)sulfanyl]-3,3-difluoro-2-(trifluoromethyl)propanoate
Wiley ID 1463133