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Benzoic acid, 2-(2,3-dibenzoyl-4-hydroxy-1,4-diphenyl-1,3-butadienyl)-, methyl ester, (Z,E)-
SpectraBase Compound ID 6dOB87g7bxK
InChI InChI=1S/C38H28O5/c1-43-38(42)31-25-15-14-24-30(31)32(26-16-6-2-7-17-26)33(35(39)27-18-8-3-9-19-27)34(36(40)28-20-10-4-11-21-28)37(41)29-22-12-5-13-23-29/h2-25,40H,1H3/b33-32-,36-34-
InChIKey JJQPFVVXCHXKBK-RLKPHMINSA-N
Mol Weight 564.6 g/mol
Molecular Formula C38H28O5
Exact Mass 564.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0n0cTYDdcz
Name Benzoic acid, 2-(2,3-dibenzoyl-4-hydroxy-1,4-diphenyl-1,3-butadienyl)-, methyl ester, (Z,E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.193673997 u
Formula C38H28O5
InChI InChI=1S/C38H28O5/c1-43-38(42)31-25-15-14-24-30(31)32(26-16-6-2-7-17-26)33(35(39)27-18-8-3-9-19-27)34(36(40)28-20-10-4-11-21-28)37(41)29-22-12-5-13-23-29/h2-25,40H,1H3/b33-32-,36-34-
InChIKey JJQPFVVXCHXKBK-RLKPHMINSA-N
Molecular Weight 564.637 g/mol
SMILES C=1(\C(=C\(\C(=C/(C2=CC=CC=C2)O)C(=O)C2=CC=CC=C2)C(=O)C2=CC=CC=C2)C=2C=CC=CC2)C(C(=O)OC)=CC=CC1