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Fluvoxamine TFA
SpectraBase Compound ID F8rLKzwLIKT
InChI InChI=1S/C17H20F6N2O3/c1-27-10-3-2-4-14(12-5-7-13(8-6-12)16(18,19)20)25-28-11-9-24-15(26)17(21,22)23/h5-8H,2-4,9-11H2,1H3,(H,24,26)/b25-14+
InChIKey PNJBJZYOTAZMJK-AFUMVMLFSA-N
Mol Weight 414.35 g/mol
Molecular Formula C17H20F6N2O3
Exact Mass 414.137811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B2ePdlpsg9
Name Fluvoxamine TFA
Classification Antidepressant
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Exact Mass 414.137811487 u
Formula C17H20F6N2O3
InChI InChI=1S/C17H20F6N2O3/c1-27-10-3-2-4-14(12-5-7-13(8-6-12)16(18,19)20)25-28-11-9-24-15(26)17(21,22)23/h5-8H,2-4,9-11H2,1H3,(H,24,26)/b25-14+
InChIKey PNJBJZYOTAZMJK-AFUMVMLFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 414.348 g/mol
SMILES c1cc(ccc1C(F)(F)F)\C(=N\OCCNC(=O)C(F)(F)F)CCCCOC
SPLASH splash10-00vm-4930000000-1b309651d2985dab5610
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_7675