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1-butyl-5-[di(phenyl)phosphorylmethyl]-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene

View entire compound with spectra: 2 NMR

1-butyl-5-[di(phenyl)phosphorylmethyl]-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene
SpectraBase Compound ID EpMS2cVd7Db
InChI InChI=1S/C36H39OPS/c1-4-6-8-15-21-35-31(16-7-5-2)26-29(27-36(35)30-22-24-34(39-3)25-23-30)28-38(37,32-17-11-9-12-18-32)33-19-13-10-14-20-33/h9-14,17-20,22-27H,4-8,16,28H2,1-3H3
InChIKey GGXVPCHSUZNZFC-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C36H39OPS
Exact Mass 550.245924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlNFOBJDimL
Name 1-butyl-5-[di(phenyl)phosphorylmethyl]-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene
Compound Number 5J
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H39OPS
InChI InChI=1S/C36H39OPS/c1-4-6-8-15-21-35-31(16-7-5-2)26-29(27-36(35)30-22-24-34(39-3)25-23-30)28-38(37,32-17-11-9-12-18-32)33-19-13-10-14-20-33/h9-14,17-20,22-27H,4-8,16,28H2,1-3H3
InChIKey GGXVPCHSUZNZFC-UHFFFAOYSA-N
Literature Reference Author M.RUBIN,J.MARKOV,S.CHUPRAKOV,D.J.WINK,V.GEVORGYAN
Literature Reference Citation J.ORG.CHEM.,68,6251(2003)
Literature Reference DOI 10.1021/jo034486o
Molecular Weight 550.739 g/mol
Solvent CDCl3
Source File Reference UWVN20663