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Fexofenadine -H2O 2TMS
SpectraBase Compound ID 1yW69TLquWE
InChI InChI=1S/C38H53NO3Si2/c1-37(2,36(40)41-43(3,4)5)32-24-22-31(23-25-32)17-15-16-28-39-29-26-35(27-30-39)38(42-44(6,7)8,33-18-11-9-12-19-33)34-20-13-10-14-21-34/h9-15,17-25,35H,16,26-30H2,1-8H3/b17-15-
InChIKey ZIYPGNSYWAWLQN-ICFOKQHNSA-N
Mol Weight 628.0 g/mol
Molecular Formula C38H53NO3Si2
Exact Mass 627.356398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjU30hFehor
Name Fexofenadine -H2O 2TMS
Classification Antihistamine
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Exact Mass 627.356397638 u
Formula C38H53NO3Si2
InChI InChI=1S/C38H53NO3Si2/c1-37(2,36(40)41-43(3,4)5)32-24-22-31(23-25-32)17-15-16-28-39-29-26-35(27-30-39)38(42-44(6,7)8,33-18-11-9-12-19-33)34-20-13-10-14-21-34/h9-15,17-25,35H,16,26-30H2,1-8H3/b17-15-
InChIKey ZIYPGNSYWAWLQN-ICFOKQHNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 628.016 g/mol
Related CAS Registry Number(s) 83799-24-0
SMILES c1cc(C(C2CCN(CC\C=C/c3ccc(cc3)C(C(=O)O[Si](C)(C)C)(C)C)CC2)(c2ccccc2)O[Si](C)(C)C)ccc1
SPLASH splash10-03k9-7490001000-c258aea59816afbb555f
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_7732