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3'-Amino-5'-octylamino-3',5'-dideoxy-adenosine
SpectraBase Compound ID 7N21q50lqSR
InChI InChI=1S/C18H31N7O2/c1-2-3-4-5-6-7-8-21-9-12-13(19)15(26)18(27-12)25-11-24-14-16(20)22-10-23-17(14)25/h10-13,15,18,21,26H,2-9,19H2,1H3,(H2,20,22,23)
InChIKey VMHHOMSGKGLIFZ-UHFFFAOYSA-N
Mol Weight 377.49 g/mol
Molecular Formula C18H31N7O2
Exact Mass 377.253923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8PwHoIFVeA
Name 3'-Amino-5'-octylamino-3',5'-dideoxy-adenosine
CAS Registry Number 71528-55-7
Comments SHIFTCORRECTION: -0.4 PPM (A.H.)
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Formula C18H31N7O2
InChI InChI=1S/C18H31N7O2/c1-2-3-4-5-6-7-8-21-9-12-13(19)15(26)18(27-12)25-11-24-14-16(20)22-10-23-17(14)25/h10-13,15,18,21,26H,2-9,19H2,1H3,(H2,20,22,23)
InChIKey VMHHOMSGKGLIFZ-UHFFFAOYSA-N
Literature Reference M. Morr, L. Ernst, Chem. Ber. 112, 2815 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O