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5-[4-Biphenyl]-2,4-pentadienoic acid ehtyl ester
SpectraBase Compound ID 4f5am78FQy9
InChI InChI=1S/C19H18O2/c1-2-21-19(20)11-7-6-8-16-12-14-18(15-13-16)17-9-4-3-5-10-17/h3-15H,2H2,1H3/b8-6+,11-7+
InChIKey PVCPDZAHVXIFBF-JMFBPXTISA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJhnVwuLbyR
Name 5-[4-Biphenyl]-2,4-pentadienoic acid ehtyl ester
Comments Computed using HOSE algorithm
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Exact Mass 278.130679818 u
Formula C19H18O2
InChI InChI=1S/C19H18O2/c1-2-21-19(20)11-7-6-8-16-12-14-18(15-13-16)17-9-4-3-5-10-17/h3-15H,2H2,1H3/b8-6+,11-7+
InChIKey PVCPDZAHVXIFBF-JMFBPXTISA-N
Molecular Weight 278.351 g/mol
SMILES C1=CC(C2=CC=C(C=C2)\C=C\C=C\C(OCC)=O)=CC=C1