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Citalopram-M (Bisnor) AC
SpectraBase Compound ID 8NQDkCygutv
InChI InChI=1S/C20H19FN2O2/c1-14(24)23-10-2-9-20(17-4-6-18(21)7-5-17)19-8-3-15(12-22)11-16(19)13-25-20/h3-8,11H,2,9-10,13H2,1H3,(H,23,24)
InChIKey MJXCQDCWTBXXPG-UHFFFAOYSA-N
Mol Weight 338.38 g/mol
Molecular Formula C20H19FN2O2
Exact Mass 338.143056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lLJdVqyQK
Name Citalopram-M (bis-nor-) AC
Classification Antidepressant
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Exact Mass 338.143056021 u
Formula C20H19FN2O2
InChI InChI=1S/C20H19FN2O2/c1-14(24)23-10-2-9-20(17-4-6-18(21)7-5-17)19-8-3-15(12-22)11-16(19)13-25-20/h3-8,11H,2,9-10,13H2,1H3,(H,23,24)
InChIKey MJXCQDCWTBXXPG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.382 g/mol
SMILES C1(c2c(cc(C#N)cc2)CO1)(c1ccc(cc1)F)CCCNC(=O)C
SPLASH splash10-000i-1390000000-860f094e8342b80bb827
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
Technique GC/MS
Wiley ID MMPW6e_4454