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Diflunisal - hexafluoro-isopropyl ester
SpectraBase Compound ID KjMv5U1FMhu
InChI InChI=1S/C16H8F8O3/c17-8-2-3-9(11(18)6-8)7-1-4-12(25)10(5-7)13(26)27-14(15(19,20)21)16(22,23)24/h1-6,14,25H
InChIKey GRWCTNWFIZQHQS-UHFFFAOYSA-N
Mol Weight 400.22 g/mol
Molecular Formula C16H8F8O3
Exact Mass 400.034569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APahgyyCf0
Name Diflunisal - hexafluoro-isopropyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate
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Formula C16H8F8O3
InChI InChI=1S/C16H8F8O3/c17-8-2-3-9(11(18)6-8)7-1-4-12(25)10(5-7)13(26)27-14(15(19,20)21)16(22,23)24/h1-6,14,25H
InChIKey GRWCTNWFIZQHQS-UHFFFAOYSA-N
Molecular Weight 400.224 g/mol
SMILES Oc1c(C(OC(C(F)(F)F)C(F)(F)F)=O)cc(-c2c(cc(cc2)F)F)cc1
SPLASH splash10-001i-0190000000-1021d94c305bfbca65d8
Source of Spectrum CJ-0-20-3503
Wiley ID 1369205