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Paroxetine-M isomer-1 2AC
SpectraBase Compound ID FQBgE3naldu
InChI InChI=1S/C23H26FNO5/c1-15(26)25-11-10-21(17-4-6-19(24)7-5-17)18(13-25)14-29-20-8-9-22(30-16(2)27)23(12-20)28-3/h4-9,12,18,21H,10-11,13-14H2,1-3H3
InChIKey HVHLZOHPNYXMKO-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C23H26FNO5
Exact Mass 415.179501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVuccw4Xi5V
Name Paroxetine-M isomer-1 2AC
Classification Antidepressant
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Exact Mass 415.179501099 u
Formula C23H26FNO5
InChI InChI=1S/C23H26FNO5/c1-15(26)25-11-10-21(17-4-6-19(24)7-5-17)18(13-25)14-29-20-8-9-22(30-16(2)27)23(12-20)28-3/h4-9,12,18,21H,10-11,13-14H2,1-3H3
InChIKey HVHLZOHPNYXMKO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 415.461 g/mol
SMILES CC(=O)N1CCC(C(COc2cc(c(OC(=O)C)cc2)OC)C1)c1ccc(cc1)F
SPLASH splash10-001i-5693000000-1c0615462ca9125ed4f6
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.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Paroxetine-M (demethylenyl-4-methyl-) 2AC
Technique GC/MS
Wiley ID MMPW6e_5343