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1-butyl-5-[di(phenyl)phosphorylmethyl]-3-(4-fluorophenyl)-2-hex-1-ynylbenzene
SpectraBase Compound ID ISi3qlAeD4l
InChI InChI=1S/C35H36FOP/c1-3-5-7-14-20-34-30(15-6-4-2)25-28(26-35(34)29-21-23-31(36)24-22-29)27-38(37,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,21-26H,3-7,15,27H2,1-2H3
InChIKey VBNMXONQGYJZGG-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C35H36FOP
Exact Mass 522.248781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pSne10AbkC
Name 1-butyl-5-[di(phenyl)phosphorylmethyl]-3-(4-fluorophenyl)-2-hex-1-ynylbenzene
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36FOP
InChI InChI=1S/C35H36FOP/c1-3-5-7-14-20-34-30(15-6-4-2)25-28(26-35(34)29-21-23-31(36)24-22-29)27-38(37,32-16-10-8-11-17-32)33-18-12-9-13-19-33/h8-13,16-19,21-26H,3-7,15,27H2,1-2H3
InChIKey VBNMXONQGYJZGG-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 522.642 g/mol
Solvent CDCl3
Source File Reference UWVN20661