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2,5-BIS-[4-(THIEN-2-YL)-1H-1,2,3-TRIAZOL-1-YL]-1-PHENYL-1-THIOOXOPHOSPHOLE
SpectraBase Compound ID IzhCb5fNVCI
InChI InChI=1S/C38H29N6PS3/c46-45(30-14-2-1-3-15-30)37(26-10-6-12-28(22-26)43-24-33(39-41-43)35-18-8-20-47-35)31-16-4-5-17-32(31)38(45)27-11-7-13-29(23-27)44-25-34(40-42-44)36-19-9-21-48-36/h1-3,6-15,18-25H,4-5,16-17H2
InChIKey QVZYFYAAKNGQHI-UHFFFAOYSA-N
Mol Weight 696.8 g/mol
Molecular Formula C38H29N6PS3
Exact Mass 696.135345 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGnB2MKsSzb
Name 2,5-BIS-[4-(THIEN-2-YL)-1H-1,2,3-TRIAZOL-1-YL]-1-PHENYL-1-THIOOXOPHOSPHOLE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H29N6PS3
InChI InChI=1S/C38H29N6PS3/c46-45(30-14-2-1-3-15-30)37(26-10-6-12-28(22-26)43-24-33(39-41-43)35-18-8-20-47-35)31-16-4-5-17-32(31)38(45)27-11-7-13-29(23-27)44-25-34(40-42-44)36-19-9-21-48-36/h1-3,6-15,18-25H,4-5,16-17H2
InChIKey QVZYFYAAKNGQHI-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 UWLU83377