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(E)-4-(4-chlorophenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one

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(E)-4-(4-chlorophenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one
SpectraBase Compound ID G2xeOXEb08V
InChI InChI=1S/C34H26ClOP/c35-29-24-21-27(22-25-29)23-26-33(36)34(28-13-5-1-6-14-28)37(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-26H/b26-23+
InChIKey BXCLTYXODLHJTD-WNAAXNPUSA-N
Mol Weight 517.0 g/mol
Molecular Formula C34H26ClOP
Exact Mass 516.14098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBI0nPSv9ya
Name (E)-4-(4-Chlorophenyl)-1-phenyl-1-triphenylphosphoranylidene-3-buten-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.140980154 u
Formula C34H26ClOP
InChI InChI=1S/C34H26ClOP/c35-29-24-21-27(22-25-29)23-26-33(36)34(28-13-5-1-6-14-28)37(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-26H/b26-23+
InChIKey BXCLTYXODLHJTD-WNAAXNPUSA-N
Molecular Weight 517.008 g/mol
SMILES C(=P(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(C(\C=C\C=1C=CC(=CC1)Cl)=O)C1=CC=CC=C1