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Zidovudine HFB
SpectraBase Compound ID ALBfSa51zLJ
InChI InChI=1S/C14H12F7N5O5/c1-5-3-26(11(29)23-9(5)27)8-2-6(24-25-22)7(31-8)4-30-10(28)12(15,16)13(17,18)14(19,20)21/h3,6-8H,2,4H2,1H3,(H,23,27,29)
InChIKey NZTRCUOMGBKKLP-UHFFFAOYSA-N
Mol Weight 463.27 g/mol
Molecular Formula C14H12F7N5O5
Exact Mass 463.072666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAstebgdrTv
Name Zidovudine HFB
Classification Virustatic
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Exact Mass 463.072665642 u
Formula C14H12N5O5F7
InChI InChI=1S/C14H12F7N5O5/c1-5-3-26(11(29)23-9(5)27)8-2-6(24-25-22)7(31-8)4-30-10(28)12(15,16)13(17,18)14(19,20)21/h3,6-8H,2,4H2,1H3,(H,23,27,29)
InChIKey NZTRCUOMGBKKLP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.269 g/mol
SMILES C1(C(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(N2C=C(C(=O)NC2=O)C)C1)N=N#N
SPLASH splash10-016r-9500000000-1d3b178570fcbf510ea9
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_8245