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PURPURESTER_B;(Z)-5,6-DIHYDROXY-7-METHYL-3-PROPYLIDENEISOBENZOFURAN-1-(3-H)-ONE
SpectraBase Compound ID 98HIxuVK1ch
InChI InChI=1S/C12H12O4/c1-3-4-9-7-5-8(13)11(14)6(2)10(7)12(15)16-9/h4-5,13-14H,3H2,1-2H3/b9-4-
InChIKey JRDMQQKXYDXSJG-WTKPLQERSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wkgAOLpsaV
Name PURPURESTER_B;(Z)-5,6-DIHYDROXY-7-METHYL-3-PROPYLIDENEISOBENZOFURAN-1-(3-H)-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-3-4-9-7-5-8(13)11(14)6(2)10(7)12(15)16-9/h4-5,13-14H,3H2,1-2H3/b9-4-
InChIKey JRDMQQKXYDXSJG-WTKPLQERSA-N
Literature Reference Author H.WANG,MY.WANG,W.WANG,P.FU,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,74,2014(2011)
Literature Reference DOI 10.1021/np2004769
Molecular Weight 220.225 g/mol
Sample ID 39293
Solvent DMSO-D6