| 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
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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 |