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Propranolol-N-TFA,O-TMS
SpectraBase Compound ID AnpAnyY0WsM
InChI InChI=1S/C21H28F3NO3Si/c1-15(2)25(20(26)21(22,23)24)13-17(28-29(3,4)5)14-27-19-12-8-10-16-9-6-7-11-18(16)19/h6-12,15,17H,13-14H2,1-5H3
InChIKey BUABIQDANVWWGN-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H28F3NO3Si
Exact Mass 427.179055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FaN3votma
Name Propranolol TMSTFA
Classification Beta-Blocker
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Exact Mass 427.179054787 u
Formula C21H28F3NO3Si
InChI InChI=1S/C21H28F3NO3Si/c1-15(2)25(20(26)21(22,23)24)13-17(28-29(3,4)5)14-27-19-12-8-10-16-9-6-7-11-18(16)19/h6-12,15,17H,13-14H2,1-5H3
InChIKey BUABIQDANVWWGN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 427.539 g/mol
SMILES c1ccc(c2c1cccc2)OCC(O[Si](C)(C)C)CN(C(=O)C(F)(F)F)C(C)C
SPLASH splash10-003r-2980000000-0d1edad6eaf8255f424b
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_6154