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Zidovudine PFP
SpectraBase Compound ID IQiaQ8Beym0
InChI InChI=1S/C13H12F5N5O5/c1-5-3-23(11(26)20-9(5)24)8-2-6(21-22-19)7(28-8)4-27-10(25)12(14,15)13(16,17)18/h3,6-8H,2,4H2,1H3,(H,20,24,26)
InChIKey VPWQNQAYBYSSCB-UHFFFAOYSA-N
Mol Weight 413.26 g/mol
Molecular Formula C13H12F5N5O5
Exact Mass 413.075859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3BQb5Rm0ya
Name Zidovudine PFP
Classification Virustatic
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Exact Mass 413.075859316 u
Formula C13H12N5O5F5
InChI InChI=1S/C13H12F5N5O5/c1-5-3-23(11(26)20-9(5)24)8-2-6(21-22-19)7(28-8)4-27-10(25)12(14,15)13(16,17)18/h3,6-8H,2,4H2,1H3,(H,20,24,26)
InChIKey VPWQNQAYBYSSCB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 413.261 g/mol
SMILES C1(C(COC(=O)C(F)(F)C(F)(F)F)OC(C1)N1C=C(C(=O)NC1=O)C)N=N#N
SPLASH splash10-016s-9500000000-0324e888ae0fdeb959dc
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_8244