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Hexadeutero-albuterol, O,O',O''-tris-TMS
SpectraBase Compound ID IdCfBF9E4C7
InChI InChI=1S/C22H45NO3Si3/c1-22(2,3)23-16-21(26-29(10,11)12)18-13-14-20(25-28(7,8)9)19(15-18)17-24-27(4,5)6/h13-15,21,23H,16-17H2,1-12H3/i1D3,2D3
InChIKey YGGXZMKDVWVCST-WFGJKAKNSA-N
Mol Weight 461.9 g/mol
Molecular Formula C22H392H6NO3Si3
Exact Mass 461.308384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZys6WhZG2O
Name Hexadeutero-albuterol, O,O',O''-tris-TMS
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 461.308384390 u
Formula C22H39[2H]6NO3Si3
InChI InChI=1S/C22H45NO3Si3/c1-22(2,3)23-16-21(26-29(10,11)12)18-13-14-20(25-28(7,8)9)19(15-18)17-24-27(4,5)6/h13-15,21,23H,16-17H2,1-12H3/i1D3,2D3
InChIKey YGGXZMKDVWVCST-WFGJKAKNSA-N
Molecular Weight 461.898 g/mol
Nominal Mass 461 u
Number of Peaks 38
SMILES N(C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])CC(c1ccc(O[Si](C)(C)C)c(c1)CO[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-01b9-3009000000-9b75bf0182fcbb69faa6
Source File Reference DSHS_50_0902
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms Hexadeutero-salbutamol, O,O',O''-tris-TMS
Wiley ID 50_902