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Tertatolol TMSTFA
SpectraBase Compound ID aYIKcoxOtZ
InChI InChI=1S/C21H32F3NO3SSi/c1-20(2,3)25(19(26)21(22,23)24)13-16(28-30(4,5)6)14-27-17-11-7-9-15-10-8-12-29-18(15)17/h7,9,11,16H,8,10,12-14H2,1-6H3
InChIKey RAGFIIXHXFXAIM-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C21H32F3NO3SSi
Exact Mass 463.182426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sB9eYneMUl
Name Tertatolol TMSTFA
Classification Beta-Blocker
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Exact Mass 463.182426089 u
Formula C21H32F3NO3SSi
InChI InChI=1S/C21H32F3NO3SSi/c1-20(2,3)25(19(26)21(22,23)24)13-16(28-30(4,5)6)14-27-17-11-7-9-15-10-8-12-29-18(15)17/h7,9,11,16H,8,10,12-14H2,1-6H3
InChIKey RAGFIIXHXFXAIM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.631 g/mol
SMILES c1(c2SCCCc2ccc1)OCC(CN(C(C(F)(F)F)=O)C(C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-0930100000-9fca059bc30da9cec432
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_6139