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2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID AiQs0mk3gZy
InChI InChI=1S/C22H18O6/c23-21(12-10-17-9-11-19-20(15-17)28-16-27-19)25-13-5-2-6-14-26-22(24)18-7-3-1-4-8-18/h1-12,14-15H,13,16H2/b5-2+,12-10+,14-6+
InChIKey DYALEMVTIHNSPQ-DPPLYCNPSA-N
Mol Weight 378.38 g/mol
Molecular Formula C22H18O6
Exact Mass 378.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5HoSdwDTFD
Name 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Comments Computed using HOSE algorithm
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Exact Mass 378.110338294 u
Formula C22H18O6
InChI InChI=1S/C22H18O6/c23-21(12-10-17-9-11-19-20(15-17)28-16-27-19)25-13-5-2-6-14-26-22(24)18-7-3-1-4-8-18/h1-12,14-15H,13,16H2/b5-2+,12-10+,14-6+
InChIKey DYALEMVTIHNSPQ-DPPLYCNPSA-N
Molecular Weight 378.380 g/mol
SMILES C(=O)(C1=CC=CC=C1)O\C=C\C=C\COC(\C=C\C=1C=C2OCOC2=CC1)=O