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1-Phenyl-4-triphenylphosphoranylidene-oct-1-yn-3-one

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

1-Phenyl-4-triphenylphosphoranylidene-oct-1-yn-3-one
SpectraBase Compound ID 2AhK1ST8FQ
InChI InChI=1S/C32H29OP/c1-2-3-24-32(31(33)26-25-27-16-8-4-9-17-27)34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23H,2-3,24H2,1H3
InChIKey MGIQXSFIYZIOHC-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C32H29OP
Exact Mass 460.195603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IuBgVFTVEi
Name 1-Phenyl-4-triphenylphosphoranylidene-oct-1-yn-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.195602551 u
Formula C32H29OP
InChI InChI=1S/C32H29OP/c1-2-3-24-32(31(33)26-25-27-16-8-4-9-17-27)34(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23H,2-3,24H2,1H3
InChIKey MGIQXSFIYZIOHC-UHFFFAOYSA-N
Molecular Weight 460.557 g/mol
SMILES C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(C#CC=1C=CC=CC1)=O)CCCC