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Paroxetine PFP
SpectraBase Compound ID EzvF7mUqXVo
InChI InChI=1S/C22H19F6NO4/c23-15-3-1-13(2-4-15)17-7-8-29(20(30)21(24,25)22(26,27)28)10-14(17)11-31-16-5-6-18-19(9-16)33-12-32-18/h1-6,9,14,17H,7-8,10-12H2
InChIKey QCIIIRHLGAIQKB-UHFFFAOYSA-N
Mol Weight 475.39 g/mol
Molecular Formula C22H19F6NO4
Exact Mass 475.121827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbtOY6vaJ6O
Name Paroxetine PFP
Classification Antidepressant
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Exact Mass 475.121827070 u
Formula C22H19F6NO4
InChI InChI=1S/C22H19F6NO4/c23-15-3-1-13(2-4-15)17-7-8-29(20(30)21(24,25)22(26,27)28)10-14(17)11-31-16-5-6-18-19(9-16)33-12-32-18/h1-6,9,14,17H,7-8,10-12H2
InChIKey QCIIIRHLGAIQKB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 475.387 g/mol
Related CAS Registry Number(s) 61869-08-7
SMILES C(C(C(N1CCC(c2ccc(F)cc2)C(COc2cc3c(OCO3)cc2)C1)=O)(F)F)(F)(F)F
SPLASH splash10-000i-2900000000-3987ba895d4e5e7d74df
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_6320