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SCOPOLIN

View entire compound with spectra: 3 NMR

SCOPOLIN
SpectraBase Compound ID IZzZaHTNo8r
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-/m1/s1
InChIKey SGTCGCCQZOUMJJ-YMILTQATSA-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 FevorjHYBYG
Name SCOPOLIN
Compound Number 5
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-/m1/s1
InChIKey SGTCGCCQZOUMJJ-YMILTQATSA-N
Literature Reference Author A.E.R.M.DONIA,S.I.ALQASOUMI,G.A.SOLIMAN,A.M.RADWAN
Literature Reference Citation PHYTOPHARM.,2,16(2012)
Molecular Weight 354.314 g/mol
Sample ID 73316
Solvent DMSO-D6