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2'-[2-(1-Methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylic-acid

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2'-[2-(1-Methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylic-acid
SpectraBase Compound ID Jp5GdaZf9WZ
InChI InChI=1S/C38H33O5P/c1-3-27(2)43-38(42)36(35(39)33-25-15-13-23-31(33)32-24-14-16-26-34(32)37(40)41)44(28-17-7-4-8-18-28,29-19-9-5-10-20-29)30-21-11-6-12-22-30/h4-27H,3H2,1-2H3,(H,40,41)
InChIKey WYSOURJEFNESOD-UHFFFAOYSA-N
Mol Weight 600.7 g/mol
Molecular Formula C38H33O5P
Exact Mass 600.206561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3waEUtH9mWG
Name 2'-[2-(1-Methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylic-acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.206561156 u
Formula C38H33O5P
InChI InChI=1S/C38H33O5P/c1-3-27(2)43-38(42)36(35(39)33-25-15-13-23-31(33)32-24-14-16-26-34(32)37(40)41)44(28-17-7-4-8-18-28,29-19-9-5-10-20-29)30-21-11-6-12-22-30/h4-27H,3H2,1-2H3,(H,40,41)
InChIKey WYSOURJEFNESOD-UHFFFAOYSA-N
Molecular Weight 600.651 g/mol
SMILES C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)OC(C)CC)C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)O