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2,5-BIS-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-1-PHENYL-1-THIOOXOPHOSPHOLE

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2,5-BIS-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-1-PHENYL-1-THIOOXOPHOSPHOLE
SpectraBase Compound ID 8kZtrfaMG29
InChI InChI=1S/C42H33N6PS/c50-49(36-22-8-3-9-23-36)41(32-18-12-20-34(26-32)47-28-39(43-45-47)30-14-4-1-5-15-30)37-24-10-11-25-38(37)42(49)33-19-13-21-35(27-33)48-29-40(44-46-48)31-16-6-2-7-17-31/h1-9,12-23,26-29H,10-11,24-25H2
InChIKey FNRRAKSKRRECAQ-UHFFFAOYSA-N
Mol Weight 684.8 g/mol
Molecular Formula C42H33N6PS
Exact Mass 684.222503 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRRE53wDrLf
Name 2,5-BIS-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-1-PHENYL-1-THIOOXOPHOSPHOLE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H33N6PS
InChI InChI=1S/C42H33N6PS/c50-49(36-22-8-3-9-23-36)41(32-18-12-20-34(26-32)47-28-39(43-45-47)30-14-4-1-5-15-30)37-24-10-11-25-38(37)42(49)33-19-13-21-35(27-33)48-29-40(44-46-48)31-16-6-2-7-17-31/h1-9,12-23,26-29H,10-11,24-25H2
InChIKey FNRRAKSKRRECAQ-UHFFFAOYSA-N
Literature Reference Author W.WEYMIENS,F.HARTL,M.LUTZ,J.C.SLOOTWEG,A.W.EHLERS,J.R.MULDER ,K.LAMMERTSMA
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6711(2012)
Literature Reference DOI 10.1002/ejoc.201201148
Solvent CDCl3
Source File Reference UWLU83375