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1-[3-(4-Methoxyphenyl)phenyl]-2-triphenylphosphoranylidene-ethanone
SpectraBase Compound ID JDDK01h5j0B
InChI InChI=1S/C33H27O2P/c1-35-29-22-20-26(21-23-29)27-12-11-13-28(24-27)33(34)25-36(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-25H,1H3
InChIKey CNFSDBVBJRVQCN-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C33H27O2P
Exact Mass 486.174867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzOWbeqa5Bf
Name 1-[3-(4-Methoxyphenyl)phenyl]-2-triphenylphosphoranylidene-ethanone
Comments Computed using HOSE algorithm
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Exact Mass 486.174867105 u
Formula C33H27O2P
InChI InChI=1S/C33H27O2P/c1-35-29-22-20-26(21-23-29)27-12-11-13-28(24-27)33(34)25-36(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-25H,1H3
InChIKey CNFSDBVBJRVQCN-UHFFFAOYSA-N
Molecular Weight 486.551 g/mol
SMILES C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C=1C=C(C2=CC=C(C=C2)OC)C=CC1)=O