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Tolterodine PFP
SpectraBase Compound ID 22PgD3BZA4c
InChI InChI=1S/C25H30F5NO2/c1-16(2)31(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)33-23(32)24(26,27)25(28,29)30/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey LPVMFSXZJFIUEI-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C25H30F5NO2
Exact Mass 471.21967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL5xuj8u1QK
Name Tolterodine PFP
Classification Anticholinergic
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Exact Mass 471.219670023 u
Formula C25H30NO2F5
InChI InChI=1S/C25H30F5NO2/c1-16(2)31(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)33-23(32)24(26,27)25(28,29)30/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey LPVMFSXZJFIUEI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 471.512 g/mol
SMILES c1(c(cc(cc1)C)C(CCN(C(C)C)C(C)C)c1ccccc1)OC(=O)C(F)(F)C(F)(F)F
SPLASH splash10-03di-5900000000-3404c06c5646a00a357c
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_8390