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Famciclovir TFA
SpectraBase Compound ID 8GjALzKj8QV
InChI InChI=1S/C16H18F3N5O5/c1-9(25)28-6-11(7-29-10(2)26)3-4-24-8-21-12-5-20-15(22-13(12)24)23-14(27)16(17,18)19/h5,8,11H,3-4,6-7H2,1-2H3,(H,20,22,23,27)
InChIKey BSNGYLKIZNZSLW-UHFFFAOYSA-N
Mol Weight 417.35 g/mol
Molecular Formula C16H18F3N5O5
Exact Mass 417.126003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeAAwhMle7d
Name Famciclovir TFA
Classification Virustatic
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Exact Mass 417.126003184 u
Formula C16H18N5O5F3
InChI InChI=1S/C16H18F3N5O5/c1-9(25)28-6-11(7-29-10(2)26)3-4-24-8-21-12-5-20-15(22-13(12)24)23-14(27)16(17,18)19/h5,8,11H,3-4,6-7H2,1-2H3,(H,20,22,23,27)
InChIKey BSNGYLKIZNZSLW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 417.345 g/mol
SMILES C(COC(=O)C)(CC[n]1c2c(cnc(NC(C(F)(F)F)=O)n2)nc1)COC(C)=O
SPLASH splash10-001j-3493000000-162a37b75de0197d517c
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_7742