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Pirbuterol 3TMS
SpectraBase Compound ID 4SfUq6MNegc
InChI InChI=1S/C21H44N2O3Si3/c1-21(2,3)22-15-20(26-29(10,11)12)17-13-14-19(25-28(7,8)9)18(23-17)16-24-27(4,5)6/h13-14,20,22H,15-16H2,1-12H3
InChIKey NZVIRLHVZBPQFE-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C21H44N2O3Si3
Exact Mass 456.265973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OtlWcWgYje
Name Pirbuterol 3TMS
Classification Bronchodilator
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Exact Mass 456.265972887 u
Formula C21H44N2O3Si3
InChI InChI=1S/C21H44N2O3Si3/c1-21(2,3)22-15-20(26-29(10,11)12)17-13-14-19(25-28(7,8)9)18(23-17)16-24-27(4,5)6/h13-14,20,22H,15-16H2,1-12H3
InChIKey NZVIRLHVZBPQFE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 456.849 g/mol
Related CAS Registry Number(s) 38677-81-5
SMILES c1c(C(O[Si](C)(C)C)CNC(C)(C)C)nc(c(O[Si](C)(C)C)c1)CO[Si](C)(C)C
SPLASH splash10-00di-2169000000-972f1347a1fd87d5f9ab
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_6188