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Paroxetine-M (desmethylenyl-methyl) 2AC
SpectraBase Compound ID 6sdPOevTFqV
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/t18-,21-/m0/s1
InChIKey HVHLZOHPNYXMKO-RXVVDRJESA-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 8H3nhqDg9RI
Name Paroxetine-M (desmethylenyl-methyl) 2AC
Classification Serotonin reuptake inhibitor(SRI)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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/t18-,21-/m0/s1
InChIKey HVHLZOHPNYXMKO-RXVVDRJESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 415.461 g/mol
Nominal Mass 415 u
Quality 938
Retention Index 3125
SMILES [C@]1([C@@](CN(CC1)C(=O)C)(COC=1C=C(C(=CC1)OC(=O)C)OC)[H])(C=1C=CC(=CC1)F)[H]
SPLASH splash10-008i-6972000000-f73788b776354ed7a4f0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(((3S,4R)-1-acetyl-4-(4-fluorophenyl)piperidin-3-yl)methoxy)-2-methoxyphenyl acetate
Technique GC/MS
Wiley ID DD2024_003489