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DIBUTYL-[3-(L-1-BENZYLAMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-THIOUREIDO]-(PHEHYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 64v2Tv9zRv4
InChI InChI=1S/C29H44N3O4PS/c1-6-8-20-35-37(34,36-21-9-7-2)27(24-18-14-11-15-19-24)32-28(38)31-25(29(3,4)5)26(33)30-22-23-16-12-10-13-17-23/h10-19,25,27H,6-9,20-22H2,1-5H3,(H,30,33)(H2,31,32,38)/t25-,27?/m0/s1
InChIKey BENQIUFIAAUPLZ-PVCWFJFTSA-N
Mol Weight 561.7 g/mol
Molecular Formula C29H44N3O4PS
Exact Mass 561.279015 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lAQ2DFowzg
Name DIBUTYL-[3-(L-1-BENZYLAMINO-3,3-DIMETHYL-1-OXOBUTAN-2-YL)-THIOUREIDO]-(PHEHYL)-METHYLPHOSPHONATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44N3O4PS
InChI InChI=1S/C29H44N3O4PS/c1-6-8-20-35-37(34,36-21-9-7-2)27(24-18-14-11-15-19-24)32-28(38)31-25(29(3,4)5)26(33)30-22-23-16-12-10-13-17-23/h10-19,25,27H,6-9,20-22H2,1-5H3,(H,30,33)(H2,31,32,38)/t25-,27?/m0/s1
InChIKey BENQIUFIAAUPLZ-PVCWFJFTSA-N
Literature Reference Author J.LIU,A.YANG,X.LI,H.FAN,P.BHADURY,W.XU,J.WU,Z.WANG
Literature Reference Citation MOLECULES,15,5112(2010)
Literature Reference DOI 10.3390/molecules15085112
Solvent CDCl3
Source File Reference UWLU71574