| SpectraBase Compound ID | GQX2lv9hBIr |
|---|---|
| InChI | InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m0/s1 |
| InChIKey | SGTCGCCQZOUMJJ-SLZITWOASA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LaADPxjJRRa |
|---|---|
| Name | SCOPOLIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H18O9 |
| InChI | InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m0/s1 |
| InChIKey | SGTCGCCQZOUMJJ-SLZITWOASA-N |
| Literature Reference Author | J.REISCH,S.H.ACHENBACH |
| Literature Reference Citation | PHYTOCHEM.,31,4376(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80484-V |
| Molecular Weight | 354.314 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN26831 |