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N-(3-Chlorobenzyl)-9H-purin-6-amine, 1tms derivative

View entire compound with spectra: 1 NMR

N-(3-Chlorobenzyl)-9H-purin-6-amine, 1tms derivative
SpectraBase Compound ID LH2056sRixl
InChI InChI=1S/C15H18ClN5Si/c1-22(2,3)21-10-20-13-14(18-9-19-15(13)21)17-8-11-5-4-6-12(16)7-11/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKey FNSZBJUTNWQCQZ-UHFFFAOYSA-N
Mol Weight 331.88 g/mol
Molecular Formula C15H18ClN5Si
Exact Mass 331.102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3PRvjGhvLM
Name N-(3-Chlorobenzyl)-9H-purin-6-amine, 1tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 331.101999835 u
Formula C15H18ClN5Si
InChI InChI=1S/C15H18ClN5Si/c1-22(2,3)21-10-20-13-14(18-9-19-15(13)21)17-8-11-5-4-6-12(16)7-11/h4-7,9-10H,8H2,1-3H3,(H,17,18,19)
InChIKey FNSZBJUTNWQCQZ-UHFFFAOYSA-N
Molecular Weight 331.882 g/mol
SMILES C1(Cl)=CC(=CC=C1)CNC1=NC=NC2=C1N=CN2[Si](C)(C)C