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Diflunisal - derivatized with HFP and PFPA
SpectraBase Compound ID BI7FpLjojkQ
InChI InChI=1S/C19H7F13O4/c20-8-2-3-9(11(21)6-8)7-1-4-12(35-15(34)16(22,23)19(30,31)32)10(5-7)13(33)36-14(17(24,25)26)18(27,28)29/h1-6,14H
InChIKey MVXDZBCRNMQNFO-UHFFFAOYSA-N
Mol Weight 546.24 g/mol
Molecular Formula C19H7F13O4
Exact Mass 546.013675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x09iF3mm6T
Name Diflunisal - derivatized with HFP and PFPA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H7F13O4
InChI InChI=1S/C19H7F13O4/c20-8-2-3-9(11(21)6-8)7-1-4-12(35-15(34)16(22,23)19(30,31)32)10(5-7)13(33)36-14(17(24,25)26)18(27,28)29/h1-6,14H
InChIKey MVXDZBCRNMQNFO-UHFFFAOYSA-N
Molecular Weight 546.240 g/mol
SMILES C(C(Oc1c(C(OC(C(F)(F)F)C(F)(F)F)=O)cc(cc1)-c1c(cc(cc1)F)F)=O)(C(F)(F)F)(F)F
SPLASH splash10-0f8a-0190130000-e5cc2cc653eb1f5fb217
Source of Spectrum CJ-0-20-3502
Synonyms 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 2',4'-difluoro-4-[(2,2,3,3,3-pentafluoropropanoyl)oxy][1,1'-biphenyl]-3-carboxylate
Wiley ID 1405193