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YERPGNQEMNAGBA-UHFFFAOYSA-N

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YERPGNQEMNAGBA-UHFFFAOYSA-N
SpectraBase Compound ID HrLeoGWs3ZI
InChI InChI=1S/C39H34N2P2S2.BrH/c1-6-18-32(19-7-1)39(40-42(37-28-16-30-44-37,33-20-8-2-9-21-33)34-22-10-3-11-23-34)41-43(38-29-17-31-45-38,35-24-12-4-13-25-35)36-26-14-5-15-27-36;/h1-31,42-43H,(H,40,41);1H
InChIKey YERPGNQEMNAGBA-UHFFFAOYSA-N
Mol Weight 737.7 g/mol
Molecular Formula C39H35BrN2P2S2
Exact Mass 736.090028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XsCa8zALi2
Name YERPGNQEMNAGBA-UHFFFAOYSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H33BrN2P2S2
InChI InChI=1S/C39H34N2P2S2.BrH/c1-6-18-32(19-7-1)39(40-42(37-28-16-30-44-37,33-20-8-2-9-21-33)34-22-10-3-11-23-34)41-43(38-29-17-31-45-38,35-24-12-4-13-25-35)36-26-14-5-15-27-36;/h1-31,42-43H,(H,40,41);1H
InChIKey YERPGNQEMNAGBA-UHFFFAOYSA-N
Literature Reference Author G.ALCARAZ,V.PIQUET,A.BACEIREDO,F.DAHAN,W.W.SCHOELLER,G.BERTR AND
Literature Reference Citation J.AM.CHEM.SOC.,118,1060(1996)
Literature Reference DOI 10.1021/ja9532143
Molecular Weight 735.676 g/mol
Sample ID 36173
Solvent CDCl3