For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Duloxetine isomer-1 PFP
SpectraBase Compound ID 3imdKiZcvnX
InChI InChI=1S/C21H18F5NO2S/c1-27(19(28)20(22,23)21(24,25)26)12-11-17(18-10-5-13-30-18)29-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3
InChIKey VRKVCRSDGXEUHU-UHFFFAOYSA-N
Mol Weight 443.43 g/mol
Molecular Formula C21H18F5NO2S
Exact Mass 443.097841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K4JNEVxR8EF
Name Duloxetine isomer-2 PFP
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 443.097840811 u
Formula C21H18NO2SF5
InChI InChI=1S/C21H18F5NO2S/c1-27(19(28)20(22,23)21(24,25)26)12-11-17(18-10-5-13-30-18)29-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17H,11-12H2,1H3
InChIKey VRKVCRSDGXEUHU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 443.432 g/mol
SMILES c1cc2c(c(ccc2)OC(c2cccs2)CCN(C(C(F)(C(F)(F)F)F)=O)C)cc1
SPLASH splash10-000l-2960100000-450a81154a8e1ecabd76
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_7472