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5-[(E)-5-(3-furanyl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID ANXbHs6f7J3
InChI InChI=1S/C18H20O5/c1-12(5-4-6-13-7-8-23-11-13)9-14-10-15(19)17(21-2)18(22-3)16(14)20/h5,7-8,10-11H,4,6,9H2,1-3H3/b12-5+
InChIKey AROFVSZVAKNDAP-LFYBBSHMSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YKRpuonVjD
Name 5-[(E)-5-(3-Furanyl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-12(5-4-6-13-7-8-23-11-13)9-14-10-15(19)17(21-2)18(22-3)16(14)20/h5,7-8,10-11H,4,6,9H2,1-3H3/b12-5+
InChIKey AROFVSZVAKNDAP-LFYBBSHMSA-N
Molecular Weight 316.353 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)C\C(=C\CCC1=COC=C1)C)OC)OC