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Zidovudine TFA
SpectraBase Compound ID 7VSprN7M3j7
InChI InChI=1S/C12H12F3N5O5/c1-5-3-20(11(23)17-9(5)21)8-2-6(18-19-16)7(25-8)4-24-10(22)12(13,14)15/h3,6-8H,2,4H2,1H3,(H,17,21,23)
InChIKey ZLMQIWIQQKMBGO-UHFFFAOYSA-N
Mol Weight 363.25 g/mol
Molecular Formula C12H12F3N5O5
Exact Mass 363.079053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uimQDObdg
Name Zidovudine TFA
Classification Virustatic
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Exact Mass 363.079052990 u
Formula C12H12N5O5F3
InChI InChI=1S/C12H12F3N5O5/c1-5-3-20(11(23)17-9(5)21)8-2-6(18-19-16)7(25-8)4-24-10(22)12(13,14)15/h3,6-8H,2,4H2,1H3,(H,17,21,23)
InChIKey ZLMQIWIQQKMBGO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 363.253 g/mol
SMILES C1(C(COC(=O)C(F)(F)F)OC(C1)N1C=C(C(NC1=O)=O)C)N=N#N
SPLASH splash10-00pj-9300000000-ecbda6748b1dc29e9127
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_8243