| SpectraBase Compound ID | 3DE3dPKAgq1 |
|---|---|
| InChI | InChI=1S/C22H25N5O4/c1-22(2)30-17-14(8-9-28)10-15(18(17)31-22)27-12-25-16-19(23-11-24-20(16)27)26-21(29)13-6-4-3-5-7-13/h3-7,11-12,14-15,17-18,28H,8-10H2,1-2H3,(H,23,24,26,29)/t14-,15+,17+,18-/m1/s1 |
| InChIKey | VYHQCCALVOVOAJ-MXSMSXNCSA-N |
| Mol Weight | 423.47 g/mol |
| Molecular Formula | C22H25N5O4 |
| Exact Mass | 423.190654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XPSAomAbK7 |
|---|---|
| Name | 6-BENZOYL-9-(5-DEOXY-2,3-O-ISOPROPYLIDENECARBA-BETA-DL-RIBOHEXOFURANOSYL)-ADENINE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25N5O4 |
| InChI | InChI=1S/C22H25N5O4/c1-22(2)30-17-14(8-9-28)10-15(18(17)31-22)27-12-25-16-19(23-11-24-20(16)27)26-21(29)13-6-4-3-5-7-13/h3-7,11-12,14-15,17-18,28H,8-10H2,1-2H3,(H,23,24,26,29)/t14-,15+,17+,18-/m1/s1 |
| InChIKey | VYHQCCALVOVOAJ-MXSMSXNCSA-N |
| Literature Reference Author | H.KAPELLER,H.BAUMGARTNER,H.GRIENGL |
| Literature Reference Citation | MH.CHEM.,128,191(1997) |
| Literature Reference DOI | 10.1007/BF00807308 |
| Molecular Weight | 423.472 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15958 |