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Fesoterodine PFP
SpectraBase Compound ID EoE8OgIBXy2
InChI InChI=1S/C29H36F5NO4/c1-18(2)26(36)39-25-13-12-21(17-38-27(37)28(30,31)29(32,33)34)16-24(25)23(22-10-8-7-9-11-22)14-15-35(19(3)4)20(5)6/h7-13,16,18-20,23H,14-15,17H2,1-6H3
InChIKey VBUVOAWJQIPSOW-UHFFFAOYSA-N
Mol Weight 557.6 g/mol
Molecular Formula C29H36F5NO4
Exact Mass 557.256449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CntoptUkH5H
Name Fesoterodine PFP
Classification Anticholinergic
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Exact Mass 557.256449454 u
Formula C29H36NO4F5
InChI InChI=1S/C29H36F5NO4/c1-18(2)26(36)39-25-13-12-21(17-38-27(37)28(30,31)29(32,33)34)16-24(25)23(22-10-8-7-9-11-22)14-15-35(19(3)4)20(5)6/h7-13,16,18-20,23H,14-15,17H2,1-6H3
InChIKey VBUVOAWJQIPSOW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 557.602 g/mol
SMILES c1(c(cc(COC(=O)C(F)(F)C(F)(F)F)cc1)C(CCN(C(C)C)C(C)C)c1ccccc1)OC(C(C)C)=O
SPLASH splash10-0229-5921010000-700e9c55088c6d07bc3b
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_9410