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2-Methylenesuccinic acid, bis-(2-biphenyl-4-yl-2-oxoethyl ester)
SpectraBase Compound ID 5Cy3FxNm0cR
InChI InChI=1S/C33H26O6/c1-23(33(37)39-22-31(35)29-18-14-27(15-19-29)25-10-6-3-7-11-25)20-32(36)38-21-30(34)28-16-12-26(13-17-28)24-8-4-2-5-9-24/h2-19H,1,20-22H2
InChIKey RQWAYGMETXYRQO-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C33H26O6
Exact Mass 518.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqZ82juJTLP
Name 2-Methylenesuccinic acid, bis-(2-biphenyl-4-yl-2-oxoethyl ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.172938551 u
Formula C33H26O6
InChI InChI=1S/C33H26O6/c1-23(33(37)39-22-31(35)29-18-14-27(15-19-29)25-10-6-3-7-11-25)20-32(36)38-21-30(34)28-16-12-26(13-17-28)24-8-4-2-5-9-24/h2-19H,1,20-22H2
InChIKey RQWAYGMETXYRQO-UHFFFAOYSA-N
Molecular Weight 518.565 g/mol
SMILES C1=CC(C2=CC=C(C(COC(=O)C(CC(OCC(=O)C3=CC=C(C4=CC=CC=C4)C=C3)=O)=C)=O)C=C2)=CC=C1