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thymidine, 3TMS
SpectraBase Compound ID 4hGbEaOyLoi
InChI InChI=1S/C19H38N2O5Si3/c1-14-12-20(19(23)21(18(14)22)27(2,3)4)17-11-15(26-29(8,9)10)16(25-17)13-24-28(5,6)7/h12,15-17H,11,13H2,1-10H3/t15-,16+,17+/m0/s1
InChIKey CWLUUZAUXFZTIY-GVDBMIGSSA-N
Mol Weight 458.8 g/mol
Molecular Formula C19H38N2O5Si3
Exact Mass 458.208852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20GhpUdzJxu
Name thymidine, 3TMS
Comments Derivatization type: 3 TMS (mass: 458.209); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001057; Note: The molecular formula of the structure shown is C10H14N2O5 - which differs from the formula reported for the mass spectrum (C19H38N2O5Si3)
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Formula C19H38N2O5Si3
InChI InChI=1S/C19H38N2O5Si3/c1-14-12-20(19(23)21(18(14)22)27(2,3)4)17-11-15(26-29(8,9)10)16(25-17)13-24-28(5,6)7/h12,15-17H,11,13H2,1-10H3/t15-,16+,17+/m0/s1
InChIKey CWLUUZAUXFZTIY-GVDBMIGSSA-N
Molecular Weight 458.777 g/mol
SMILES CC1=CN([C@]2(C[C@@]([C@@](CO[Si](C)(C)C)(O2)[H])(O[Si](C)(C)C)[H])[H])C(N(C1=O)[Si](C)(C)C)=O
SPLASH splash10-0zfr-0900000000-7f8f6e15456a4adf0d76
Source of Spectrum FM-2019-1057-0
Synonyms deoxythymidine, 3TMS 2'-Deoxythymidine, 3TMS Thymidin, 3TMS dThd, 3TMS DThyd, 3TMS 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 3TMS 5-Methyl-3-(trimethylsilyl)-1-((2R,4S,5R)-4-((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Wiley ID 1818716