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Flupentixol TMS
SpectraBase Compound ID 8I7tNL0yqdC
InChI InChI=1S/C26H33F3N2OSSi/c1-34(2,3)32-18-17-31-15-13-30(14-16-31)12-6-8-21-22-7-4-5-9-24(22)33-25-11-10-20(19-23(21)25)26(27,28)29/h4-5,7-11,19H,6,12-18H2,1-3H3/b21-8+
InChIKey YUMOOVBAYNIYGZ-ODCIPOBUSA-N
Mol Weight 506.7 g/mol
Molecular Formula C26H33F3N2OSSi
Exact Mass 506.203496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3471tmsBCwg
Name Flupentixol TMS
Classification Neuroleptic
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Exact Mass 506.203495888 u
Formula C26H33F3N2OSSi
InChI InChI=1S/C26H33F3N2OSSi/c1-34(2,3)32-18-17-31-15-13-30(14-16-31)12-6-8-21-22-7-4-5-9-24(22)33-25-11-10-20(19-23(21)25)26(27,28)29/h4-5,7-11,19H,6,12-18H2,1-3H3/b21-8+
InChIKey YUMOOVBAYNIYGZ-ODCIPOBUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 506.703 g/mol
SMILES c12\C(c3c(Sc2ccc(C(F)(F)F)c1)cccc3)=C\CCN1CCN(CC1)CCO[Si](C)(C)C
SPLASH splash10-014j-7290000000-af06c6232d2ef7391001
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_5697