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Amoxicillin 3TMS
SpectraBase Compound ID 3TQV5JDi8ba
InChI InChI=1S/C25H43N3O5SSi3/c1-25(2)20(24(31)33-37(9,10)11)28-22(30)19(23(28)34-25)26-21(29)18(27-35(3,4)5)16-12-14-17(15-13-16)32-36(6,7)8/h12-15,18-20,23,27H,1-11H3,(H,26,29)/t18-,19-,20+,23-/m1/s1
InChIKey MXTJYSSROCJKGT-ISHFTEKXSA-N
Mol Weight 582.0 g/mol
Molecular Formula C25H43N3O5SSi3
Exact Mass 581.223122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHiIgvKljk0
Name Amoxicillin 3TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 581.223122271 u
Formula C25H43N3O5SSi3
InChI InChI=1S/C25H43N3O5SSi3/c1-25(2)20(24(31)33-37(9,10)11)28-22(30)19(23(28)34-25)26-21(29)18(27-35(3,4)5)16-12-14-17(15-13-16)32-36(6,7)8/h12-15,18-20,23,27H,1-11H3,(H,26,29)/t18-,19-,20+,23-/m1/s1
InChIKey MXTJYSSROCJKGT-ISHFTEKXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 581.950 g/mol
Nominal Mass 581 u
Quality 975
Retention Index 4451
SMILES [C@@]12([C@@](C(N2[C@](C(S1)(C)C)(C(O[Si](C)(C)C)=O)[H])=O)(NC([C@@](C=1C=CC(=CC1)O[Si](C)(C)C)(N[Si](C)(C)C)[H])=O)[H])[H]
SPLASH splash10-014i-1190000000-3cfdc2554621fd8df9cf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(((2R)-2-((trimethylsilyl)amino)-2-(4-\r((trimethylsilyl)oxy)phenyl)ethanoyl)amino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Technique GC/MS
Wiley ID DD2024_014081