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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-1-(4-nitrophenyl)-4-phenyl-1-triphenylphosphoranylidene-3-buten-2-one
SpectraBase Compound ID JAF7M1hyeCg
InChI InChI=1S/C34H26NO3P/c36-33(26-21-27-13-5-1-6-14-27)34(28-22-24-29(25-23-28)35(37)38)39(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-26H/b26-21+
InChIKey MRJBWRKAUZMLSQ-YYADALCUSA-N
Mol Weight 527.6 g/mol
Molecular Formula C34H26NO3P
Exact Mass 527.165031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFtwx0berDX
Name (E)-1-(4-Nitrophenyl)-4-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 527.165030696 u
Formula C34H26NO3P
InChI InChI=1S/C34H26NO3P/c36-33(26-21-27-13-5-1-6-14-27)34(28-22-24-29(25-23-28)35(37)38)39(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-26H/b26-21+
InChIKey MRJBWRKAUZMLSQ-YYADALCUSA-N
Molecular Weight 527.560 g/mol
SMILES C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(\C=C\C1=CC=CC=C1)=O)C1=CC=C(N(=O)=O)C=C1