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N6-[(1S)-1-METHYL-2-PHENYLETHYL]-9H-(1-DEOXY-BETA-D-PSICOFURANOSYL)-ADENINE

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N6-[(1S)-1-METHYL-2-PHENYLETHYL]-9H-(1-DEOXY-BETA-D-PSICOFURANOSYL)-ADENINE
SpectraBase Compound ID GBvhfsqHOFF
InChI InChI=1S/C20H25N5O4/c1-12(8-13-6-4-3-5-7-13)24-18-15-19(22-10-21-18)25(11-23-15)20(2)17(28)16(27)14(9-26)29-20/h3-7,10-12,14,16-17,26-28H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,17-,20-/m0/s1
InChIKey LAUJHHDMVNOAOD-KEFZQLSMSA-N
Mol Weight 399.45 g/mol
Molecular Formula C20H25N5O4
Exact Mass 399.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hv6iUqTbods
Name N6-[(1S)-1-METHYL-2-PHENYLETHYL]-9H-(1-DEOXY-BETA-D-PSICOFURANOSYL)-ADENINE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N5O4
InChI InChI=1S/C20H25N5O4/c1-12(8-13-6-4-3-5-7-13)24-18-15-19(22-10-21-18)25(11-23-15)20(2)17(28)16(27)14(9-26)29-20/h3-7,10-12,14,16-17,26-28H,8-9H2,1-2H3,(H,21,22,24)/t12-,14-,16-,17-,20-/m0/s1
InChIKey LAUJHHDMVNOAOD-KEFZQLSMSA-N
Literature Reference Author L.CAPPELLACCI,G.BARBAONI,M.PALMIERI,M.PASQUALINI,M.GRIFANTIN I,B.COSTA,C.MARTINI,
Literature Reference Citation J.MED.CHEM.,45,1196(2002)
Literature Reference DOI 10.1021/jm0102755
Molecular Weight 399.450 g/mol
Sample ID 52845
Solvent DMSO-D6