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PESTAPHTHALIDE_A;5,7-DIHYDROXY-3-(1-HYDROXYETHYL)-6-METHYL-3-H-ISOBENZOFURAN-1-ONE
SpectraBase Compound ID JrXJr0VJlAs
InChI InChI=1S/C11H12O5/c1-4-7(13)3-6-8(9(4)14)11(15)16-10(6)5(2)12/h3,5,10,12-14H,1-2H3/t5-,10+/m0/s1
InChIKey GRSVIXWYIHCOGF-XUOSJQGZSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQlzjh1hVpz
Name PESTAPHTHALIDE_A;5,7-DIHYDROXY-3-(1-HYDROXYETHYL)-6-METHYL-3-H-ISOBENZOFURAN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-4-7(13)3-6-8(9(4)14)11(15)16-10(6)5(2)12/h3,5,10,12-14H,1-2H3/t5-,10+/m0/s1
InChIKey GRSVIXWYIHCOGF-XUOSJQGZSA-N
Literature Reference Author G.DING,S.LIU,L.GUO,Y.ZHOU,Y.CHE
Literature Reference Citation J.NAT.PROD.,71,615(2008)
Literature Reference DOI 10.1021/np070590f
Molecular Weight 224.213 g/mol
Sample ID 28134
Solvent CD3OD