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Methyl-2'-[2-(1-methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylate

View entire compound with spectra: 2 NMR

Methyl-2'-[2-(1-methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 5iVE7iUKn0G
InChI InChI=1S/C39H35O5P/c1-4-28(2)44-39(42)37(36(40)34-26-16-14-24-32(34)33-25-15-17-27-35(33)38(41)43-3)45(29-18-8-5-9-19-29,30-20-10-6-11-21-30)31-22-12-7-13-23-31/h5-28H,4H2,1-3H3
InChIKey ALCOUDCZIBBCCA-UHFFFAOYSA-N
Mol Weight 614.7 g/mol
Molecular Formula C39H35O5P
Exact Mass 614.222211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fGjjy1s31O
Name Methyl-2'-[2-(1-methylpropoxycarbonyl)-1-oxo-2-(triphenylphosphoranylidene)-ethyl]-1,1'-biphenyl-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.222211220 u
Formula C39H35O5P
InChI InChI=1S/C39H35O5P/c1-4-28(2)44-39(42)37(36(40)34-26-16-14-24-32(34)33-25-15-17-27-35(33)38(41)43-3)45(29-18-8-5-9-19-29,30-20-10-6-11-21-30)31-22-12-7-13-23-31/h5-28H,4H2,1-3H3
InChIKey ALCOUDCZIBBCCA-UHFFFAOYSA-N
Molecular Weight 614.678 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)OC