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Guanfacine HFB
SpectraBase Compound ID BMnPMMfxcjz
InChI InChI=1S/C13H8Cl2F7N3O2/c14-6-2-1-3-7(15)5(6)4-8(26)24-10(23)25-9(27)11(16,17)12(18,19)13(20,21)22/h1-3H,4H2,(H3,23,24,25,26,27)
InChIKey YASBGXDDVCCGIC-UHFFFAOYSA-N
Mol Weight 442.12 g/mol
Molecular Formula C13H8Cl2F7N3O2
Exact Mass 440.988179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b8if1Ar6pI
Name Guanfacine HFB
Classification Antihypertensive
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Exact Mass 440.988179049 u
Formula C13H8N3O2Cl2F7
InChI InChI=1S/C13H8Cl2F7N3O2/c14-6-2-1-3-7(15)5(6)4-8(26)24-10(23)25-9(27)11(16,17)12(18,19)13(20,21)22/h1-3H,4H2,(H3,23,24,25,26,27)
InChIKey YASBGXDDVCCGIC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 442.121 g/mol
SMILES c1ccc(c(CC(=O)NC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)=N)c1Cl)Cl
SPLASH splash10-0609-8960000000-ba884d9d85ba33dfbf59
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_7572