| SpectraBase Compound ID | 6lN0FQm9rxM |
|---|---|
| InChI | InChI=1S/C13H15N5O6/c14-10-6-11(16-2-15-10)18(3-17-6)12-7(20)9-8(24-12)4(19)1-5(23-9)13(21)22/h2-5,7-9,12,19-20H,1H2,(H,21,22)(H2,14,15,16)/t4-,5+,7-,8-,9+,12-/m0/s1 |
| InChIKey | FPRRULCKTZISLW-VXGTYFAISA-N |
| Mol Weight | 337.29 g/mol |
| Molecular Formula | C13H15N5O6 |
| Exact Mass | 337.102233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hqMr86jXu1 |
|---|---|
| Name | OCTOSYL-ADENINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H15N5O6 |
| InChI | InChI=1S/C13H15N5O6/c14-10-6-11(16-2-15-10)18(3-17-6)12-7(20)9-8(24-12)4(19)1-5(23-9)13(21)22/h2-5,7-9,12,19-20H,1H2,(H,21,22)(H2,14,15,16)/t4-,5+,7-,8-,9+,12-/m0/s1 |
| InChIKey | FPRRULCKTZISLW-VXGTYFAISA-N |
| Literature Reference Author | S.KNAPP,V.V.THAKUR,M.R.MADDURU,K.MALOLANARASIMHAN,G.J.MORRIE LLO,G.A.DOSS |
| Literature Reference Citation | ORG.LETTERS,8,1335(2006) |
| Literature Reference DOI | 10.1021/ol0600382 |
| Molecular Weight | 337.292 g/mol |
| Sample ID | 40045 |
| Solvent | D2O |