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Duloxetine 2AC
SpectraBase Compound ID FDHktbocjW7
InChI InChI=1S/C22H23NO3S/c1-15(24)21-11-12-22(27-21)20(13-14-23(3)16(2)25)26-19-10-6-8-17-7-4-5-9-18(17)19/h4-12,20H,13-14H2,1-3H3
InChIKey DIOQMDZITZUYMJ-UHFFFAOYSA-N
Mol Weight 381.49 g/mol
Molecular Formula C22H23NO3S
Exact Mass 381.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETBQsqWZddP
Name Duloxetine 2AC
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 381.139864776 u
Formula C22H23NO3S
InChI InChI=1S/C22H23NO3S/c1-15(24)21-11-12-22(27-21)20(13-14-23(3)16(2)25)26-19-10-6-8-17-7-4-5-9-18(17)19/h4-12,20H,13-14H2,1-3H3
InChIKey DIOQMDZITZUYMJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 381.490 g/mol
SMILES c1cc2cccc(c2cc1)OC(c1ccc(s1)C(C)=O)CCN(C(C)=O)C
SPLASH splash10-015i-3591000000-588fd7e01c94410c21a1
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
Technique GC/MS
Wiley ID MMPW6e_7464