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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 2mLnycFRX2e
Name Salbutamol 3TMS
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 455 u
Quality 998
Retention Index 3198
SMILES C1(C(O[Si](C)(C)C)CNC(C)(C)C)=CC(=C(O[Si](C)(C)C)C=C1)CO[Si](C)(C)C
SPLASH splash10-0609-9388000000-5366866349299fa3899a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methyl-N-(2-((trimethylsilyl)oxy)-2-(4-((trimethylsilyl)oxy)-3-(((trimethylsilyl)oxy)methyl)phenyl)\rethyl)propan-2-amine
Technique GC/MS
Wiley ID DD2024_030140