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4'-(Benzyloxy)-2'-[(3",4"-bis<benzyloxy>cinnamoyl)oxy[]-acetophenone
SpectraBase Compound ID Aw0FecmnSsO
InChI InChI=1S/C38H32O6/c1-28(39)34-20-19-33(41-25-30-11-5-2-6-12-30)24-36(34)44-38(40)22-18-29-17-21-35(42-26-31-13-7-3-8-14-31)37(23-29)43-27-32-15-9-4-10-16-32/h2-24H,25-27H2,1H3/b22-18+
InChIKey LDRUKAKQOASWGY-RELWKKBWSA-N
Mol Weight 584.7 g/mol
Molecular Formula C38H32O6
Exact Mass 584.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCbeadEObN5
Name 4'-(Benzyloxy)-2'-[(3'',4''-biscinnamoyl)oxy[]-acetophenone
Comments Computed using HOSE algorithm
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Exact Mass 584.219888744 u
Formula C38H32O6
InChI InChI=1S/C38H32O6/c1-28(39)34-20-19-33(41-25-30-11-5-2-6-12-30)24-36(34)44-38(40)22-18-29-17-21-35(42-26-31-13-7-3-8-14-31)37(23-29)43-27-32-15-9-4-10-16-32/h2-24H,25-27H2,1H3/b22-18+
InChIKey LDRUKAKQOASWGY-RELWKKBWSA-N
Molecular Weight 584.668 g/mol
SMILES C=1(C(=CC=C(C1)OCC1=CC=CC=C1)C(=O)C)OC(\C=C\C1=CC(OCC=2C=CC=CC2)=C(C=C1)OCC1=CC=CC=C1)=O