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Befunolol TMSTFA
SpectraBase Compound ID H9jx53GWeCQ
InChI InChI=1S/C21H28F3NO5Si/c1-13(2)25(20(27)21(22,23)24)11-16(30-31(4,5)6)12-28-17-9-7-8-15-10-18(14(3)26)29-19(15)17/h7-10,13,16H,11-12H2,1-6H3
InChIKey GDQAIRJOZJMQPJ-UHFFFAOYSA-N
Mol Weight 459.54 g/mol
Molecular Formula C21H28F3NO5Si
Exact Mass 459.168884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hwa53s12CAr
Name Befunolol TMSTFA
Classification Beta-Blocker
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Exact Mass 459.168884025 u
Formula C21H28F3NO5Si
InChI InChI=1S/C21H28F3NO5Si/c1-13(2)25(20(27)21(22,23)24)11-16(30-31(4,5)6)12-28-17-9-7-8-15-10-18(14(3)26)29-19(15)17/h7-10,13,16H,11-12H2,1-6H3
InChIKey GDQAIRJOZJMQPJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 459.537 g/mol
SMILES c1ccc(c2c1cc(o2)C(C)=O)OCC(CN(C(C)C)C(=O)C(F)(F)F)O[Si](C)(C)C
SPLASH splash10-00ai-7980000000-bddc83673b5cc430672b
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_6181