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Tolterodine HFB
SpectraBase Compound ID 7TRxbayqP9O
InChI InChI=1S/C26H30F7NO2/c1-16(2)34(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)36-23(35)24(27,28)25(29,30)26(31,32)33/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey JMGZBMNFSUOYHZ-UHFFFAOYSA-N
Mol Weight 521.52 g/mol
Molecular Formula C26H30F7NO2
Exact Mass 521.216476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DRWMXYEOu
Name Tolterodine HFB
Classification Anticholinergic
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Exact Mass 521.216476349 u
Formula C26H30NO2F7
InChI InChI=1S/C26H30F7NO2/c1-16(2)34(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)36-23(35)24(27,28)25(29,30)26(31,32)33/h6-12,15-17,20H,13-14H2,1-5H3
InChIKey JMGZBMNFSUOYHZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 521.520 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)C(F)(F)F
SPLASH splash10-03di-6900000000-5b9691a943f07dd3d58a
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_8391