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Citalopram-M (Bisnor)
SpectraBase Compound ID Jqb8MsGOjoV
InChI InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2
InChIKey RKUKMUWCRLRPEJ-UHFFFAOYSA-N
Mol Weight 296.35 g/mol
Molecular Formula C18H17FN2O
Exact Mass 296.132491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGfo7BFy1tw
Name Citalopram-M (Bisnor)
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 296.132491337 u
Formula C18H17FN2O
InChI InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2
InChIKey RKUKMUWCRLRPEJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 296.345 g/mol
Nominal Mass 296 u
Quality 838
Retention Index 2414
SMILES C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN
SPLASH splash10-000i-0290000000-80183d36f9f725f0bcb1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Technique GC/MS
Wiley ID DD2024_000716