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Oseltamivir PFP
SpectraBase Compound ID Bm7tzOB5Sdj
InChI InChI=1S/C19H27F5N2O5/c1-5-12(6-2)31-14-9-11(16(28)30-7-3)8-13(15(14)25-10(4)27)26-17(29)18(20,21)19(22,23)24/h9,12-15H,5-8H2,1-4H3,(H,25,27)(H,26,29)
InChIKey FHWCBXJBAZJARG-UHFFFAOYSA-N
Mol Weight 458.43 g/mol
Molecular Formula C19H27F5N2O5
Exact Mass 458.184013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBu3Poml90i
Name Oseltamivir PFP
Classification Virustatic
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Exact Mass 458.184012787 u
Formula C19H27N2O5F5
InChI InChI=1S/C19H27F5N2O5/c1-5-12(6-2)31-14-9-11(16(28)30-7-3)8-13(15(14)25-10(4)27)26-17(29)18(20,21)19(22,23)24/h9,12-15H,5-8H2,1-4H3,(H,25,27)(H,26,29)
InChIKey FHWCBXJBAZJARG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 458.426 g/mol
SMILES C=1C(C(C(NC(C(F)(F)C(F)(F)F)=O)CC1C(OCC)=O)NC(C)=O)OC(CC)CC
SPLASH splash10-01ow-9863000000-cdb818f3902673bcd004
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_7431