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Theobromine TMS
SpectraBase Compound ID J6ceo43ntii
InChI InChI=1S/C10H16N4O2Si/c1-12-6-11-8-7(12)9(15)14(17(3,4)5)10(16)13(8)2/h6H,1-5H3
InChIKey DKNMLAFYPQOUED-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 4YRBIVMoMjP
Name 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(trimethylsilyl)-
CAS Registry Number 88145-86-2
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Formula C10H16N4O2Si
InChI InChI=1S/C10H16N4O2Si/c1-12-6-11-8-7(12)9(15)14(17(3,4)5)10(16)13(8)2/h6H,1-5H3
InChIKey DKNMLAFYPQOUED-UHFFFAOYSA-N
Molecular Weight 252.349 g/mol
SMILES C1(N(C(c2c(N1C)nc[n]2C)=O)[Si](C)(C)C)=O
SPLASH splash10-000i-3390000000-5e1e0929f25004e60dfd
Source of Spectrum NP-7-2006-0
Synonyms 3,7-Dimethyl-1-(trimethylsilyl)-3,7-dihydro-1H-purine-2,6-dione Theobromine TMS derivative 3,7-Dimethyl-1-trimethylsilylpurine-2,6-dione 3,7-Dimethyl-1-trimethylsilyl-purine-2,6-dione
Wiley ID 1106346