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Fluoxetine HFB
SpectraBase Compound ID JK4Rj6lzjci
InChI InChI=1S/C21H17F10NO2/c1-32(17(33)18(22,23)20(27,28)21(29,30)31)12-11-16(13-5-3-2-4-6-13)34-15-9-7-14(8-10-15)19(24,25)26/h2-10,16H,11-12H2,1H3
InChIKey BKTWISKQXHAQCI-UHFFFAOYSA-N
Mol Weight 505.36 g/mol
Molecular Formula C21H17F10NO2
Exact Mass 505.10996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2E3aIEPDxg
Name Fluoxetine HFB
Classification Antidepressant
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Exact Mass 505.109960419 u
Formula C21H17F3NO2F7
InChI InChI=1S/C21H17F10NO2/c1-32(17(33)18(22,23)20(27,28)21(29,30)31)12-11-16(13-5-3-2-4-6-13)34-15-9-7-14(8-10-15)19(24,25)26/h2-10,16H,11-12H2,1H3
InChIKey BKTWISKQXHAQCI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 505.356 g/mol
SMILES c1cc(OC(CCN(C(C(F)(F)C(F)(F)C(F)(F)F)=O)C)c2ccccc2)ccc1C(F)(F)F
SPLASH splash10-014l-1942000000-8fc7590582854d9ebcad
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_7672