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Theophylline TMS
SpectraBase Compound ID 8nWFMC32ncs
InChI InChI=1S/C10H16N4O2Si/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)17(3,4)5/h6H,1-5H3
InChIKey KPBTTYFAGBODJB-UHFFFAOYSA-N
Mol Weight 252.35 g/mol
Molecular Formula C10H16N4O2Si
Exact Mass 252.104252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVBx1WD7dAq
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(trimethylsilyl)-
CAS Registry Number 62374-32-7
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Formula C10H16N4O2Si
InChI InChI=1S/C10H16N4O2Si/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)17(3,4)5/h6H,1-5H3
InChIKey KPBTTYFAGBODJB-UHFFFAOYSA-N
Molecular Weight 252.349 g/mol
SMILES CN1c2c(C(N(C)C1=O)=O)[n](cn2)[Si](C)(C)C
SPLASH splash10-0079-9370000000-7bb7c61b88fafd92e4c9
Source of Spectrum W5-22106-0-0
Synonyms 1,3-Dimethyl-7-(trimethylsilyl)-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7-trimethylsilyl-purine-2,6-dione 1,3-Dimethyl-7-trimethylsilyl-xanthine Theophylline TMS derivative
Wiley ID 1255047