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Atenolol TMSTFA
SpectraBase Compound ID 3M6LUAZXSUd
InChI InChI=1S/C19H29F3N2O4Si/c1-13(2)24(18(26)19(20,21)22)11-16(28-29(3,4)5)12-27-15-8-6-14(7-9-15)10-17(23)25/h6-9,13,16H,10-12H2,1-5H3,(H2,23,25)
InChIKey BEOQHSJHOKLGNQ-UHFFFAOYSA-N
Mol Weight 434.53 g/mol
Molecular Formula C19H29F3N2O4Si
Exact Mass 434.184868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bOSUeCb0C
Name Atenolol TMSTFA
Classification Beta-Blocker
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Exact Mass 434.184868442 u
Formula C19H29F3N2O4Si
InChI InChI=1S/C19H29F3N2O4Si/c1-13(2)24(18(26)19(20,21)22)11-16(28-29(3,4)5)12-27-15-8-6-14(7-9-15)10-17(23)25/h6-9,13,16H,10-12H2,1-5H3,(H2,23,25)
InChIKey BEOQHSJHOKLGNQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.531 g/mol
SMILES c1c(OCC(O[Si](C)(C)C)CN(C(C)C)C(C(F)(F)F)=O)ccc(CC(N)=O)c1
SPLASH splash10-0089-5981000000-f74034114e97fcc1bbf6
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_6037