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2-Hydroxy-4-[3,5-[bis(3,5-bisbenzyloxy)benzyloxy]benzyloxy]benzaldehyde
SpectraBase Compound ID LFlIr5vMG2B
InChI InChI=1S/C56H48O9/c57-33-48-21-22-49(32-56(48)58)59-38-45-23-54(64-39-46-25-50(60-34-41-13-5-1-6-14-41)29-51(26-46)61-35-42-15-7-2-8-16-42)31-55(24-45)65-40-47-27-52(62-36-43-17-9-3-10-18-43)30-53(28-47)63-37-44-19-11-4-12-20-44/h1-33,58H,34-40H2
InChIKey FFKOKVIZQKWSJZ-UHFFFAOYSA-N
Mol Weight 865.0 g/mol
Molecular Formula C56H48O9
Exact Mass 864.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwuUZNGQtM3
Name 2-Hydroxy-4-[3,5-[bis(3,5-bisbenzyloxy)benzyloxy]benzyloxy]benzaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 864.329833117 u
Formula C56H48O9
InChI InChI=1S/C56H48O9/c57-33-48-21-22-49(32-56(48)58)59-38-45-23-54(64-39-46-25-50(60-34-41-13-5-1-6-14-41)29-51(26-46)61-35-42-15-7-2-8-16-42)31-55(24-45)65-40-47-27-52(62-36-43-17-9-3-10-18-43)30-53(28-47)63-37-44-19-11-4-12-20-44/h1-33,58H,34-40H2
InChIKey FFKOKVIZQKWSJZ-UHFFFAOYSA-N
Molecular Weight 864.991 g/mol
SMILES C=1(C(=CC=C(C1)OCC=1C=C(OCC2=CC(OCC=3C=CC=CC3)=CC(=C2)OCC=2C=CC=CC2)C=C(C1)OCC=1C=C(OCC2=CC=CC=C2)C=C(C1)OCC1=CC=CC=C1)C=O)O