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Thymidine, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID 73mlP6bWMlP
InChI InChI=1S/C14H12F6N2O7/c1-5-3-22(12(26)21-9(5)23)8-2-6(29-11(25)14(18,19)20)7(28-8)4-27-10(24)13(15,16)17/h3,6-8H,2,4H2,1H3,(H,21,23,26)
InChIKey XOTHCHOYOROZPJ-UHFFFAOYSA-N
Mol Weight 434.25 g/mol
Molecular Formula C14H12F6N2O7
Exact Mass 434.05487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fXphiJnprQ
Name Telbivudine 2TFA
Classification Virustatic
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Exact Mass 434.054869705 u
Formula C14H12N2O7F6
InChI InChI=1S/C14H12F6N2O7/c1-5-3-22(12(26)21-9(5)23)8-2-6(29-11(25)14(18,19)20)7(28-8)4-27-10(24)13(15,16)17/h3,6-8H,2,4H2,1H3,(H,21,23,26)
InChIKey XOTHCHOYOROZPJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.247 g/mol
SMILES C(C(OCC1OC(N2C(NC(=O)C(C)=C2)=O)CC1OC(C(F)(F)F)=O)=O)(F)(F)F
SPLASH splash10-003r-9500000000-296a6eb2d95ab1ec7867
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_9430