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Fesoterodine TFA
SpectraBase Compound ID 2FcUrryBJNj
InChI InChI=1S/C28H36F3NO4/c1-18(2)26(33)36-25-13-12-21(17-35-27(34)28(29,30)31)16-24(25)23(22-10-8-7-9-11-22)14-15-32(19(3)4)20(5)6/h7-13,16,18-20,23H,14-15,17H2,1-6H3
InChIKey OXWKZRIPNGHQHG-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C28H36F3NO4
Exact Mass 507.259643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2068wCc1FA
Name Fesoterodine TFA
Classification Anticholinergic
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Exact Mass 507.259643128 u
Formula C28H36NO4F3
InChI InChI=1S/C28H36F3NO4/c1-18(2)26(33)36-25-13-12-21(17-35-27(34)28(29,30)31)16-24(25)23(22-10-8-7-9-11-22)14-15-32(19(3)4)20(5)6/h7-13,16,18-20,23H,14-15,17H2,1-6H3
InChIKey OXWKZRIPNGHQHG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 507.594 g/mol
SMILES c1(c(cc(COC(=O)C(F)(F)F)cc1)C(CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)C(C)C
SPLASH splash10-03k9-3921200000-4772788a61ac06464e20
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_9409