| SpectraBase Compound ID | 5Z9PpQUqNOl |
|---|---|
| InChI | InChI=1S/C20H16Br2N2O6S/c1-29-19(25)24-10-16(14-6-4-12(22)8-18(14)24)20(30-2,31(26,27)28)15-9-23-17-7-11(21)3-5-13(15)17/h3-10,23H,1-2H3,(H,26,27,28) |
| InChIKey | OODYBCNKASMAJO-UHFFFAOYSA-N |
| Mol Weight | 572.22 g/mol |
| Molecular Formula | C20H16Br2N2O6S |
| Exact Mass | 569.909583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4S43W7YZhb3 |
|---|---|
| Name | ECHINOSULFONIC_ACID_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H16Br2N2O6S |
| InChI | InChI=1S/C20H16Br2N2O6S/c1-29-19(25)24-10-16(14-6-4-12(22)8-18(14)24)20(30-2,31(26,27)28)15-9-23-17-7-11(21)3-5-13(15)17/h3-10,23H,1-2H3,(H,26,27,28) |
| InChIKey | OODYBCNKASMAJO-UHFFFAOYSA-N |
| Literature Reference Author | S.P.B.OVENDEN,R.J.CAPON |
| Literature Reference Citation | J.NAT.PROD.,62,1246(1999) |
| Literature Reference DOI | 10.1021/np9901027 |
| Molecular Weight | 572.225 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2783 |