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2-ACETAMIDO-9-(CYCLOHEXYLMETHYL)-9H-PURIN-6-YL-DIPHENYLCARBAMATE
SpectraBase Compound ID JyzrgEcenCD
InChI InChI=1S/C27H28N6O3/c1-19(34)29-26-30-24-23(28-18-32(24)17-20-11-5-2-6-12-20)25(31-26)36-27(35)33(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-16,18,20H,2,5-6,11-12,17H2,1H3,(H,29,30,31,34)
InChIKey JWMLBJKIMAONHB-UHFFFAOYSA-N
Mol Weight 484.56 g/mol
Molecular Formula C27H28N6O3
Exact Mass 484.222289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3ffWDPzxgq
Name 2-ACETAMIDO-9-(CYCLOHEXYLMETHYL)-9H-PURIN-6-YL-DIPHENYLCARBAMATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N6O3
InChI InChI=1S/C27H28N6O3/c1-19(34)29-26-30-24-23(28-18-32(24)17-20-11-5-2-6-12-20)25(31-26)36-27(35)33(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h3-4,7-10,13-16,18,20H,2,5-6,11-12,17H2,1H3,(H,29,30,31,34)
InChIKey JWMLBJKIMAONHB-UHFFFAOYSA-N
Literature Reference Author T.R.MAHAJAN,M.E.YTRE-ARNE,P.STROM-ANDERSEN,B.DALHUS,L.L.GUND ERSEN
Literature Reference Citation MOLECULES,20,15944(2015)
Literature Reference DOI 10.3390/molecules200915944
Molecular Weight 484.558 g/mol
Solvent DMSO-D6
Source File Reference UWPA5099