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SCOPOLIN

View entire compound with spectra: 3 NMR

SCOPOLIN
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiWj05ckZsH
Name SCOPOLIN
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 S.A.L.BAYOUMI,M.G.ROWAN,I.S.BLAGBROUGH,J.R.BEECHING
Literature Reference Citation PHYTOCHEM.,69,2928(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.09.023
Molecular Weight 354.314 g/mol
Sample ID 63838
Solvent CD3OD