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[2,2-BIS-(TRIFLUOROMETHYL)-5-OXO-1,3-OXATHIOLAN-4-YL]-ACETIC-ACID

View entire compound with spectra: 3 NMR, and 1 MS (GC)

[2,2-BIS-(TRIFLUOROMETHYL)-5-OXO-1,3-OXATHIOLAN-4-YL]-ACETIC-ACID
SpectraBase Compound ID LdpwMoeWonh
InChI InChI=1S/C7H4F6O4S/c8-6(9,10)5(7(11,12)13)17-4(16)2(18-5)1-3(14)15/h2H,1H2,(H,14,15)
InChIKey HFRHQTUSQPARJE-UHFFFAOYSA-N
Mol Weight 298.16 g/mol
Molecular Formula C7H4F6O4S
Exact Mass 297.973449 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Grlb44vgkS
Name [2,2-BIS-(TRIFLUOROMETHYL)-5-OXO-1,3-OXATHIOLAN-4-YL]-ACETIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H4F6O4S
InChI InChI=1S/C7H4F6O4S/c8-6(9,10)5(7(11,12)13)17-4(16)2(18-5)1-3(14)15/h2H,1H2,(H,14,15)
InChIKey HFRHQTUSQPARJE-UHFFFAOYSA-N
Literature Reference Author K.PUMPOR,E.WINDEISEN,K.BURGER
Literature Reference Citation J.HETCYCL.CHEM.,40,435(2003)
Literature Reference DOI 10.1002/jhet.5570400306
Solvent CDCl3
Source File Reference UWMS22573