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Esmolol TMSTFA
SpectraBase Compound ID L6Syg7ZN7Mm
InChI InChI=1S/C21H32F3NO5Si/c1-15(2)25(20(27)21(22,23)24)13-18(30-31(4,5)6)14-29-17-10-7-16(8-11-17)9-12-19(26)28-3/h7-8,10-11,15,18H,9,12-14H2,1-6H3
InChIKey KFTQLBNSDYRLTR-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C21H32F3NO5Si
Exact Mass 463.200184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AZFDeyIAC
Name Esmolol TMSTFA
Classification Beta-Blocker
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Exact Mass 463.200184153 u
Formula C21H32F3NO5Si
InChI InChI=1S/C21H32F3NO5Si/c1-15(2)25(20(27)21(22,23)24)13-18(30-31(4,5)6)14-29-17-10-7-16(8-11-17)9-12-19(26)28-3/h7-8,10-11,15,18H,9,12-14H2,1-6H3
InChIKey KFTQLBNSDYRLTR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.569 g/mol
SMILES c1c(ccc(c1)CCC(=O)OC)OCC(CN(C(C)C)C(C(F)(F)F)=O)O[Si](C)(C)C
SPLASH splash10-001i-2590000000-3969a6f1fa3547476ea0
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_6270