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Tolterodine TFA
SpectraBase Compound ID JNVHgL4sLaa
InChI InChI=1S/C24H30F3NO2/c1-16(2)28(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)30-23(29)24(25,26)27/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey PLTOEHRRVYOMDD-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C24H30F3NO2
Exact Mass 421.222864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w5dnNJRNAh
Name Tolterodine TFA
Classification Anticholinergic
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Exact Mass 421.222863697 u
Formula C24H30NO2F3
InChI InChI=1S/C24H30F3NO2/c1-16(2)28(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)30-23(29)24(25,26)27/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey PLTOEHRRVYOMDD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 421.504 g/mol
SMILES c1(c(cc(cc1)C)C(CCN(C(C)C)C(C)C)c1ccccc1)OC(C(F)(F)F)=O
SPLASH splash10-03di-5900100000-fdff3aa65e06481f416a
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_8190