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Citalopram-M (Nor) AC
SpectraBase Compound ID 89wyN0WX4L9
InChI InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3
InChIKey XSYWUOFETHDSCD-UHFFFAOYSA-N
Mol Weight 352.41 g/mol
Molecular Formula C21H21FN2O2
Exact Mass 352.158706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n5xc1vIbZI
Name Citalopram-M (Nor) AC
Classification Pharmaceutical drug metabolite derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 352.158706085 u
Formula C21H21FN2O2
InChI InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3
InChIKey XSYWUOFETHDSCD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.409 g/mol
Nominal Mass 352 u
Quality 995
Retention Index 2870
SMILES C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCN(C(=O)C)C
SPLASH splash10-000i-4390000000-ca65fada03a2c2aaebff
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Norcitalopram AC N-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl)propyl)-N-methylacetamide
Technique GC/MS
Wiley ID DD2024_033482