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Betaxolol 2TMS
SpectraBase Compound ID LMiCPU53F74
InChI InChI=1S/C24H45NO3Si2/c1-20(2)25(29(3,4)5)17-24(28-30(6,7)8)19-27-23-13-11-21(12-14-23)15-16-26-18-22-9-10-22/h11-14,20,22,24H,9-10,15-19H2,1-8H3
InChIKey IKVMSTLVWYBAOF-UHFFFAOYSA-N
Mol Weight 451.8 g/mol
Molecular Formula C24H45NO3Si2
Exact Mass 451.293797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgFSfIEQsAy
Name Betaxolol 2TMS
Classification Beta-Blocker
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Exact Mass 451.293797380 u
Formula C24H45NO3Si2
InChI InChI=1S/C24H45NO3Si2/c1-20(2)25(29(3,4)5)17-24(28-30(6,7)8)19-27-23-13-11-21(12-14-23)15-16-26-18-22-9-10-22/h11-14,20,22,24H,9-10,15-19H2,1-8H3
InChIKey IKVMSTLVWYBAOF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 451.798 g/mol
SMILES C(OCC1CC1)Cc1ccc(OCC(CN([Si](C)(C)C)C(C)C)O[Si](C)(C)C)cc1
SPLASH splash10-006y-6900000000-7571852896be88721a50
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_5494