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(3-R)-5-CARBOMETHOXYMELLEIN;5-CARBOMETHOXY-3,4-DIHYDRO-8-HYDROXY-(3-R)-METHYLISOCOUMARIN
SpectraBase Compound ID FLy3WmIXG6w
InChI InChI=1S/C12H12O5/c1-6-5-8-7(11(14)16-2)3-4-9(13)10(8)12(15)17-6/h3-4,6,13H,5H2,1-2H3/t6-/m1/s1
InChIKey DNZSCKMZMWYBGM-ZCFIWIBFSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7UW4M9E6mr
Name (3-R)-5-CARBOMETHOXYMELLEIN;5-CARBOMETHOXY-3,4-DIHYDRO-8-HYDROXY-(3-R)-METHYLISOCOUMARIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-6-5-8-7(11(14)16-2)3-4-9(13)10(8)12(15)17-6/h3-4,6,13H,5H2,1-2H3/t6-/m1/s1
InChIKey DNZSCKMZMWYBGM-ZCFIWIBFSA-N
Literature Reference Author M.W.SUMARAH,E.PUNIANI,B.A.BLACKWELL,J.D.MILLER
Literature Reference Citation J.NAT.PROD.,71,1393(2008)
Literature Reference DOI 10.1021/np800192f
Molecular Weight 236.224 g/mol
Sample ID 28775
Solvent CDCl3