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1,7-bis(2'-Methoxyphenyl)-1,6-heptadiene-3,5-dione

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1,7-bis(2'-Methoxyphenyl)-1,6-heptadiene-3,5-dione
SpectraBase Compound ID KJfptpg683o
InChI InChI=1S/C21H20O4/c1-24-20-9-5-3-7-16(20)11-13-18(22)15-19(23)14-12-17-8-4-6-10-21(17)25-2/h3-14H,15H2,1-2H3/b13-11+,14-12+
InChIKey QAPUBEVAKIWUPS-PHEQNACWSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3s4ErX0uzjL
Name 1,7-bis(2'-Methoxyphenyl)-1,6-heptadiene-3,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-24-20-9-5-3-7-16(20)11-13-18(22)15-19(23)14-12-17-8-4-6-10-21(17)25-2/h3-14H,15H2,1-2H3/b13-11+,14-12+
InChIKey QAPUBEVAKIWUPS-PHEQNACWSA-N
Molecular Weight 336.387 g/mol
SMILES C(\C=C\C=1C(OC)=CC=CC1)(CC(\C=C\C=1C(OC)=CC=CC1)=O)=O