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

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[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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAPVtKVJpGQ
Name 2-[5-keto-2,2-bis(trifluoromethyl)-1,3-oxathiolan-4-yl]acetic acid
Alternate Name(s) 2-[5-oxidanylidene-2,2-bis(trifluoromethyl)-1,3-oxathiolan-4-yl]ethanoic acid 2-[5-oxo-2,2-bis(trifluoromethyl)-1,3-oxathiolan-4-yl]acetic acid
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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
Molecular Weight 298.155 g/mol
SMILES OC(CC1SC(OC1=O)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-014i-9040000000-f4d5e2038e0995f5ead7
Source of Spectrum Y-40-438-2
Wiley ID 1528914