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Duloxetine isomer-1 2TMS
SpectraBase Compound ID H7dadpoarzG
InChI InChI=1S/C24H35NOSSi2/c1-25(29(5,6)7)18-17-22(23-15-16-24(27-23)28(2,3)4)26-21-14-10-12-19-11-8-9-13-20(19)21/h8-16,22H,17-18H2,1-7H3
InChIKey YWRAWFXBSFGVGN-UHFFFAOYSA-N
Mol Weight 441.8 g/mol
Molecular Formula C24H35NOSSi2
Exact Mass 441.197789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdutC11sn0j
Name Duloxetine isomer-1 2TMS
Classification Antidepressant
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Exact Mass 441.197788994 u
Formula C24H35NOSSi2
InChI InChI=1S/C24H35NOSSi2/c1-25(29(5,6)7)18-17-22(23-15-16-24(27-23)28(2,3)4)26-21-14-10-12-19-11-8-9-13-20(19)21/h8-16,22H,17-18H2,1-7H3
InChIKey YWRAWFXBSFGVGN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 441.780 g/mol
SMILES c1cc2c(c(OC(c3ccc([Si](C)(C)C)s3)CCN(C)[Si](C)(C)C)ccc2)cc1
SPLASH splash10-00xr-6953100000-dfc64be5892dd034b72b
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_7482