| SpectraBase Compound ID | 2VV2sM9Vi1A |
|---|---|
| InChI | InChI=1S/C22H18Br4N10O2/c23-7-1-9(31-17(7)25)19(37)29-3-5-6(4-30-20(38)10-2-8(24)18(26)32-10)12-11(5)13-15(35-21(27)33-13)16-14(12)34-22(28)36-16/h1-2,5-6,31-32H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)/t5-,6-/m1/s1 |
| InChIKey | ISLJSGNSELMNBP-PHDIDXHHSA-N |
| Mol Weight | 774.07 g/mol |
| Molecular Formula | C22H18Br4N10O2 |
| Exact Mass | 769.834772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fl7k3cw6qZj |
|---|---|
| Name | BENZOSCEPTRIN_C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H18Br4N10O2 |
| InChI | InChI=1S/C22H18Br4N10O2/c23-7-1-9(31-17(7)25)19(37)29-3-5-6(4-30-20(38)10-2-8(24)18(26)32-10)12-11(5)13-15(35-21(27)33-13)16-14(12)34-22(28)36-16/h1-2,5-6,31-32H,3-4H2,(H,29,37)(H,30,38)(H3,27,33,35)(H3,28,34,36)/t5-,6-/m1/s1 |
| InChIKey | ISLJSGNSELMNBP-PHDIDXHHSA-N |
| Literature Reference Author | S.TILVI,C.MORIOU,M.T.MARTIN,J.F.GALLARD,J.SORRES,K.PATEL,S.P ETEK,C.DEBITUS,L.ERM |
| Literature Reference Citation | J.NAT.PROD.,73,720(2010) |
| Literature Reference DOI | 10.1021/np900539j |
| Molecular Weight | 774.067 g/mol |
| Sample ID | 35364 |
| Solvent | CD3OD |