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Telbivudine 2HFB
SpectraBase Compound ID C2AKKeYOl4h
InChI InChI=1S/C18H12F14N2O7/c1-5-3-34(12(38)33-9(5)35)8-2-6(41-11(37)14(21,22)16(25,26)18(30,31)32)7(40-8)4-39-10(36)13(19,20)15(23,24)17(27,28)29/h3,6-8H,2,4H2,1H3,(H,33,35,38)
InChIKey AMMKGULKYLPDQE-UHFFFAOYSA-N
Mol Weight 634.28 g/mol
Molecular Formula C18H12F14N2O7
Exact Mass 634.042095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gfl6d9MYqC
Name Telbivudine 2HFB
Classification Virustatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 634.042095009 u
Formula C18H12N2O7F14
InChI InChI=1S/C18H12F14N2O7/c1-5-3-34(12(38)33-9(5)35)8-2-6(41-11(37)14(21,22)16(25,26)18(30,31)32)7(40-8)4-39-10(36)13(19,20)15(23,24)17(27,28)29/h3,6-8H,2,4H2,1H3,(H,33,35,38)
InChIKey AMMKGULKYLPDQE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 634.279 g/mol
SMILES C(C(C(C(OC1CC(OC1COC(C(F)(F)C(F)(F)C(F)(F)F)=O)N1C=C(C(=O)NC1=O)C)=O)(F)F)(F)F)(F)(F)F
SPLASH splash10-00pi-8910000000-333d3a1060f31237b606
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_9433