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Atomoxetine HY2HFB            @
SpectraBase Compound ID 9yJDEa1i7Js
InChI InChI=1S/C18H13F14NO3/c1-33(11(34)13(19,20)15(23,24)17(27,28)29)8-7-10(9-5-3-2-4-6-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h2-6,10H,7-8H2,1H3
InChIKey BNRLCNOMLYDKEM-UHFFFAOYSA-N
Mol Weight 557.28 g/mol
Molecular Formula C18H13F14NO3
Exact Mass 557.067188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtFL4ghocwS
Name Atomoxetine HY2HFB @
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 557.067187562 u
Formula C18H13F14NO3
InChI InChI=1S/C18H13F14NO3/c1-33(11(34)13(19,20)15(23,24)17(27,28)29)8-7-10(9-5-3-2-4-6-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h2-6,10H,7-8H2,1H3
InChIKey BNRLCNOMLYDKEM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 557.284 g/mol
SMILES C(C(N(CCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)C)=O)(F)(F)C(F)(F)C(F)(F)F
SPLASH splash10-0006-0192000000-f4fcd36a4dfa63ea99a4
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Fluoxetine HY2HFB
Technique GC/MS
Wiley ID MMPW6e_7241