| SpectraBase Compound ID | 5ZqBdxYo26o |
|---|---|
| InChI | InChI=1S/C22H24Br2N10O3.2ClH/c23-8-1-12(27-3-8)18(35)29-5-10-11(6-30-19(36)13-2-9(24)4-28-13)16(17-20(37)34-22(26)33-17)15(10)14-7-31-21(25)32-14;;/h1-4,7,10-11,15-17,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,32)(H3,26,33,34,37);2*1H/t10-,11-,15-,16+,17?;;/m1../s1 |
| InChIKey | DDJBAUAAYNDJQK-INDGHYKPSA-N |
| Mol Weight | 709.23 g/mol |
| Molecular Formula | C22H26Br2Cl2N10O3 |
| Exact Mass | 705.993316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JmwArStX3d |
|---|---|
| Name | OXYSCEPTRIN |
| Compound Number | 2*2-HCL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26Br2Cl2N10O3 |
| InChI | InChI=1S/C22H24Br2N10O3.2ClH/c23-8-1-12(27-3-8)18(35)29-5-10-11(6-30-19(36)13-2-9(24)4-28-13)16(17-20(37)34-22(26)33-17)15(10)14-7-31-21(25)32-14;;/h1-4,7,10-11,15-17,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,32)(H3,26,33,34,37);2*1H/t10-,11-,15-,16+,17?;;/m1../s1 |
| InChIKey | DDJBAUAAYNDJQK-INDGHYKPSA-N |
| Literature Reference Author | A.OLOFSON,K.YAKUSHIJIN,D.A.HORNE |
| Literature Reference Citation | J.ORG.CHEM.,63,5787(1998) |
| Literature Reference DOI | 10.1021/jo972295d |
| Molecular Weight | 709.228 g/mol |
| Sample ID | 28605 |
| Solvent | CD3OD |