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2,5-pyrrolidinedione, 3-[(3,4-dihydroxyphenyl)methylene]-1-(4-methoxyphenyl)-, (3E)-
SpectraBase Compound ID myaqlJ7lyo
InChI InChI=1S/C18H15NO5/c1-24-14-5-3-13(4-6-14)19-17(22)10-12(18(19)23)8-11-2-7-15(20)16(21)9-11/h2-9,20-21H,10H2,1H3/b12-8+
InChIKey LYFATQPROVEYST-XYOKQWHBSA-N
Mol Weight 325.32 g/mol
Molecular Formula C18H15NO5
Exact Mass 325.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UmlpaZfdLC
Name 2,5-Pyrrolidinedione, 3-[(3,4-dihydroxyphenyl)methylene]-1-(4-methoxyphenyl)-, (3E)-
Comments Computed using HOSE algorithm
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Exact Mass 325.095022582 u
Formula C18H15NO5
InChI InChI=1S/C18H15NO5/c1-24-14-5-3-13(4-6-14)19-17(22)10-12(18(19)23)8-11-2-7-15(20)16(21)9-11/h2-9,20-21H,10H2,1H3/b12-8+
InChIKey LYFATQPROVEYST-XYOKQWHBSA-N
SMILES OC=1C=C(C=CC1O)\C=C\1C(N(C(C1)=O)C=1C=CC(=CC1)OC)=O