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Bamifylline, tms derivative
SpectraBase Compound ID LBQ49NaZucS
InChI InChI=1S/C23H35N5O3Si/c1-7-27(15-16-31-32(4,5)6)13-14-28-19(17-18-11-9-8-10-12-18)24-21-20(28)22(29)26(3)23(30)25(21)2/h8-12H,7,13-17H2,1-6H3
InChIKey HUEVSUWKGHXSHI-UHFFFAOYSA-N
Mol Weight 457.7 g/mol
Molecular Formula C23H35N5O3Si
Exact Mass 457.250917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFSolfbQyBY
Name Bamifylline, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 457.250916539 u
Formula C23H35N5O3Si
InChI InChI=1S/C23H35N5O3Si/c1-7-27(15-16-31-32(4,5)6)13-14-28-19(17-18-11-9-8-10-12-18)24-21-20(28)22(29)26(3)23(30)25(21)2/h8-12H,7,13-17H2,1-6H3
InChIKey HUEVSUWKGHXSHI-UHFFFAOYSA-N
Molecular Weight 457.650 g/mol
SMILES C[Si](C)(C)OCCN(CC)CCN1C(CC2=CC=CC=C2)=NC=2N(C)C(=O)N(C)C(C12)=O