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Famciclovir-M (deacetyl-) 2HFB
SpectraBase Compound ID BJaVuDr4ByE
InChI InChI=1S/C18H13F14N5O4/c19-13(20,15(23,24)17(27,28)29)10(38)40-4-7(1-2-37-6-35-8-3-34-12(33)36-9(8)37)5-41-11(39)14(21,22)16(25,26)18(30,31)32/h3,6-7H,1-2,4-5H2,(H2,33,34,36)
InChIKey VYXLTLLTHBRULD-UHFFFAOYSA-N
Mol Weight 629.31 g/mol
Molecular Formula C18H13F14N5O4
Exact Mass 629.074398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VXdHjo0hs
Name Famciclovir-M (deacetyl-) 2HFB
Classification Virustatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 629.074398197 u
Formula C18H13N5O4F14
InChI InChI=1S/C18H13F14N5O4/c19-13(20,15(23,24)17(27,28)29)10(38)40-4-7(1-2-37-6-35-8-3-34-12(33)36-9(8)37)5-41-11(39)14(21,22)16(25,26)18(30,31)32/h3,6-7H,1-2,4-5H2,(H2,33,34,36)
InChIKey VYXLTLLTHBRULD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 629.311 g/mol
SMILES C(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)(CC[n]1c2nc(N)ncc2nc1)COC(C(F)(F)C(F)(F)C(F)(F)F)=O
SPLASH splash10-014i-1910600000-f8971fed89d21fbd0580
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_9439