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Diflunisal MEAC
SpectraBase Compound ID 4930kJsydr3
InChI InChI=1S/C16H12F2O4/c1-9(19)22-15-6-3-10(7-13(15)16(20)21-2)12-5-4-11(17)8-14(12)18/h3-8H,1-2H3
InChIKey YQZSNZALPYZSFP-UHFFFAOYSA-N
Mol Weight 306.26 g/mol
Molecular Formula C16H12F2O4
Exact Mass 306.070365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iufXgLbkaq
Name Diflunisal MEAC
Classification Analgesic
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Exact Mass 306.070365188 u
Formula C16H12F2O4
InChI InChI=1S/C16H12F2O4/c1-9(19)22-15-6-3-10(7-13(15)16(20)21-2)12-5-4-11(17)8-14(12)18/h3-8H,1-2H3
InChIKey YQZSNZALPYZSFP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 306.265 g/mol
SMILES c1(ccc(-c2cc(c(OC(=O)C)cc2)C(OC)=O)c(F)c1)F
SPLASH splash10-0a4j-9478000000-9f8c82fca1093ba42b40
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2224