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Benzoic acid, 4-(2-propenyloxy)-, ester with 1,1'-biphenyl-4,4'-diol (2:1)
SpectraBase Compound ID EvkOairPcVd
InChI InChI=1S/C32H26O6/c1-3-21-35-27-13-9-25(10-14-27)31(33)37-29-17-5-23(6-18-29)24-7-19-30(20-8-24)38-32(34)26-11-15-28(16-12-26)36-22-4-2/h3-20H,1-2,21-22H2
InChIKey AQYZIHRRTAPSMY-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C32H26O6
Exact Mass 506.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZiSvPqyoC0
Name Benzoic acid, 4-(2-propenyloxy)-, ester with 1,1'-biphenyl-4,4'-diol (2:1)
Comments Computed using HOSE algorithm
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Exact Mass 506.172938551 u
Formula C32H26O6
InChI InChI=1S/C32H26O6/c1-3-21-35-27-13-9-25(10-14-27)31(33)37-29-17-5-23(6-18-29)24-7-19-30(20-8-24)38-32(34)26-11-15-28(16-12-26)36-22-4-2/h3-20H,1-2,21-22H2
InChIKey AQYZIHRRTAPSMY-UHFFFAOYSA-N
Molecular Weight 506.554 g/mol
SMILES C1=CC(=CC=C1C1=CC=C(OC(=O)C2=CC=C(OCC=C)C=C2)C=C1)OC(=O)C1=CC=C(OCC=C)C=C1