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

*Links on SpectraBase are not permalinks.
Duloxetine 2PFP
SpectraBase Compound ID 7mGpoP0Iaoz
InChI InChI=1S/C24H17F10NO3S/c1-35(20(37)22(27,28)24(32,33)34)12-11-16(38-15-8-4-6-13-5-2-3-7-14(13)15)17-9-10-18(39-17)19(36)21(25,26)23(29,30)31/h2-10,16H,11-12H2,1H3
InChIKey WOZLKWCILFFWLY-UHFFFAOYSA-N
Mol Weight 589.45 g/mol
Molecular Formula C24H17F10NO3S
Exact Mass 589.076946 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 DqfG06fOBo
Name Duloxetine 2PFP
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.076946212 u
Formula C24H17NO3SF10
InChI InChI=1S/C24H17F10NO3S/c1-35(20(37)22(27,28)24(32,33)34)12-11-16(38-15-8-4-6-13-5-2-3-7-14(13)15)17-9-10-18(39-17)19(36)21(25,26)23(29,30)31/h2-10,16H,11-12H2,1H3
InChIKey WOZLKWCILFFWLY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.448 g/mol
SMILES c1ccc2c(cccc2c1)OC(c1ccc(s1)C(C(F)(F)C(F)(F)F)=O)CCN(C)C(C(F)(C(F)(F)F)F)=O
SPLASH splash10-00kr-1892100000-90dc8ba778495d5c184c
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_7470