John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C3aLff7tL1f SpectraBase Spectrum ID=28SAw7u2aIS

(accessed ).
6-(3-CARBOXYBUTYL)-7-HYDROXY-5-METHOXY-4-METHYLPHTHALAN-1-ONE
SpectraBase Compound ID C3aLff7tL1f
InChI InChI=1S/C15H18O6/c1-7(14(17)18)4-5-9-12(16)8(2)10-6-21-15(19)11(10)13(9)20-3/h7,16H,4-6H2,1-3H3,(H,17,18)/t7-/m0/s1
InChIKey GOPTVZWSXSONRC-ZETCQYMHSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28SAw7u2aIS
Name 6-(3-CARBOXYBUTYL)-7-HYDROXY-5-METHOXY-4-METHYLPHTHALAN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-7(14(17)18)4-5-9-12(16)8(2)10-6-21-15(19)11(10)13(9)20-3/h7,16H,4-6H2,1-3H3,(H,17,18)/t7-/m0/s1
InChIKey GOPTVZWSXSONRC-ZETCQYMHSA-N
Literature Reference Author E.HABIB,F.LEON,J.D.BAUER,R.A.HILL,P.CARVALHO,H.G.CUTLER,S.J. CUTLER
Literature Reference Citation J.NAT.PROD.,71,1915(2008)
Literature Reference DOI 10.1021/np8003497
Molecular Weight 294.304 g/mol
Sample ID 29314
Solvent ACETONE-D6
SpectraBase Batch ID 3VR6fLtCvnO