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1-(2-Methoxybenzoyl)ethylidene(triphenyl)phosphorane

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

1-(2-Methoxybenzoyl)ethylidene(triphenyl)phosphorane
SpectraBase Compound ID FwI9jjkQPFk
InChI InChI=1S/C28H25O2P/c1-22(28(29)26-20-12-13-21-27(26)30-2)31(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21H,1-2H3
InChIKey IXIUMTOKVQQQSJ-UHFFFAOYSA-N
Mol Weight 424.48 g/mol
Molecular Formula C28H25O2P
Exact Mass 424.159217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0PZdX60SJx
Name 1-(2-Methoxybenzoyl)ethylidene(triphenyl)phosphorane
Comments Computed using HOSE algorithm
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Exact Mass 424.159217041 u
Formula C28H25O2P
InChI InChI=1S/C28H25O2P/c1-22(28(29)26-20-12-13-21-27(26)30-2)31(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21H,1-2H3
InChIKey IXIUMTOKVQQQSJ-UHFFFAOYSA-N
Molecular Weight 424.480 g/mol
SMILES C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)(C(C=1C(OC)=CC=CC1)=O)C