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3-(4-Benzyloxy-phenyl)-1-(2,4-bis-benzyloxy-phenyl)-propenone
SpectraBase Compound ID 3iMjKKMeWTR
InChI InChI=1S/C36H30O4/c37-35(23-18-28-16-19-32(20-17-28)38-25-29-10-4-1-5-11-29)34-22-21-33(39-26-30-12-6-2-7-13-30)24-36(34)40-27-31-14-8-3-9-15-31/h1-24H,25-27H2/b23-18+
InChIKey BPONYXVIZLAKDS-PTGBLXJZSA-N
Mol Weight 526.6 g/mol
Molecular Formula C36H30O4
Exact Mass 526.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSB5MzhF6zk
Name 3-(4-Benzyloxy-phenyl)-1-(2,4-bis-benzyloxy-phenyl)-propenone
Comments Computed using HOSE algorithm
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Exact Mass 526.214409442 u
Formula C36H30O4
InChI InChI=1S/C36H30O4/c37-35(23-18-28-16-19-32(20-17-28)38-25-29-10-4-1-5-11-29)34-22-21-33(39-26-30-12-6-2-7-13-30)24-36(34)40-27-31-14-8-3-9-15-31/h1-24H,25-27H2/b23-18+
InChIKey BPONYXVIZLAKDS-PTGBLXJZSA-N
Molecular Weight 526.632 g/mol
SMILES C=1(C(=CC(=CC1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(\C=C\C1=CC=C(OCC2=CC=CC=C2)C=C1)=O