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Loratadine
SpectraBase Compound ID LiB6eIJ1oWh
InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey JCCNYMKQOSZNPW-UHFFFAOYSA-N
Mol Weight 382.89 g/mol
Molecular Formula C22H23ClN2O2
Exact Mass 382.144806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfAhoiylLyE
Name Loratadine
CAS Registry Number 79794-75-5
Classification Antihistamine
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 382.144805687 u
Formula C22H23ClN2O2
InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey JCCNYMKQOSZNPW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 382.891 g/mol
SMILES C1(c2c(cc(cc2)Cl)CCc2c1nccc2)=C1CCN(CC1)C(=O)OCC
SPLASH splash10-001i-0294000000-cb16c3338ded38391147
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: G 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_5283