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salbutamol bis-TMS
SpectraBase Compound ID IF5S0UgL2v4
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
InChIKey YGGXZMKDVWVCST-UHFFFAOYSA-N
Mol Weight 455.9 g/mol
Molecular Formula C22H45NO3Si3
Exact Mass 455.270724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ev0ey94OnV
Name Salbutamol 3TMS
Classification Bronchodilator
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Exact Mass 455.270723915 u
Formula C22H45NO3Si3
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
InChIKey YGGXZMKDVWVCST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 455.861 g/mol
SMILES c1(c(O[Si](C)(C)C)ccc(C(O[Si](C)(C)C)CNC(C)(C)C)c1)CO[Si](C)(C)C
SPLASH splash10-00y0-9224000000-2005bb271c7a9b318e31
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_5222