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(E)-1-(2-nitrophenyl)-4-triphenylphosphoranylidene-1-penten-3-one

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

(E)-1-(2-nitrophenyl)-4-triphenylphosphoranylidene-1-penten-3-one
SpectraBase Compound ID 3pf33ZRaQHe
InChI InChI=1S/C29H24NO3P/c1-23(29(31)22-21-24-13-11-12-20-28(24)30(32)33)34(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-22H,1H3/b22-21+
InChIKey LLCYYSBYVGVGFA-QURGRASLSA-N
Mol Weight 465.49 g/mol
Molecular Formula C29H24NO3P
Exact Mass 465.149381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cCKeffSScX
Name (E)-1-(2-Nitrophenyl)-4-triphenylphosphoranylidene-1-penten-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.149380632 u
Formula C29H24NO3P
InChI InChI=1S/C29H24NO3P/c1-23(29(31)22-21-24-13-11-12-20-28(24)30(32)33)34(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-22H,1H3/b22-21+
InChIKey LLCYYSBYVGVGFA-QURGRASLSA-N
Molecular Weight 465.489 g/mol
SMILES C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(\C=C\C=1C(N(=O)=O)=CC=CC1)=O)C