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R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline
SpectraBase Compound ID 8JLlmVAvQ0v
InChI InChI=1S/C11H16ClN5O2/c1-4-6(5-12)13-10-14-7-8(15-10)16(2)11(19)17(3)9(7)18/h6H,4-5H2,1-3H3,(H2,13,14,15)
InChIKey RMHCSKUWYDMJFA-UHFFFAOYSA-N
Mol Weight 285.73 g/mol
Molecular Formula C11H16ClN5O2
Exact Mass 285.099252 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SpgaFZ26iy
Name R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline
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Formula C11H16ClN5O2
InChI InChI=1S/C11H16ClN5O2/c1-4-6(5-12)13-10-14-7-8(15-10)16(2)11(19)17(3)9(7)18/h6H,4-5H2,1-3H3,(H2,13,14,15)
InChIKey RMHCSKUWYDMJFA-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 43449M
Solvent Polysol-d