| SpectraBase Compound ID | HxE9Kwtk7mg |
|---|---|
| InChI | InChI=1S/C22H24Br2N10O3.2C2HF3O2/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;2*3-2(4,5)1(6)7/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*(H,6,7)/t10-,11-,15-,16+,17?;;/m1../s1 |
| InChIKey | VTSKWIHCCHAKNZ-INDGHYKPSA-N |
| Mol Weight | 864.355 g/mol |
| Molecular Formula | C26H26Br2F6N10O7 |
| Exact Mass | 862.025688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5dv1fK3wXv |
|---|---|
| Name | OXYSCEPTRIN |
| Compound Number | 2*2-HOAC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H26Br2F6N10O7 |
| InChI | InChI=1S/C22H24Br2N10O3.2C2HF3O2/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;2*3-2(4,5)1(6)7/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*(H,6,7)/t10-,11-,15-,16+,17?;;/m1../s1 |
| InChIKey | VTSKWIHCCHAKNZ-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 | 864.354 g/mol |
| Sample ID | 28604 |
| Solvent | CD3OD |