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DIISOPROPYL-[3-(L-1-(2-FLUOROBENZYLAMINO)-4-METHYL-1-OXOPENTAN-2-YL)-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID KvIA20XVWjr
InChI InChI=1S/C27H39FN3O4PS/c1-18(2)16-24(25(32)29-17-22-14-10-11-15-23(22)28)30-27(37)31-26(21-12-8-7-9-13-21)36(33,34-19(3)4)35-20(5)6/h7-15,18-20,24,26H,16-17H2,1-6H3,(H,29,32)(H2,30,31,37)/t24-,26?/m1/s1
InChIKey BQWBXCZBVDHXPA-RMVMEJTISA-N
Mol Weight 551.7 g/mol
Molecular Formula C27H39FN3O4PS
Exact Mass 551.238293 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQ1OzXsv6Sy
Name DIISOPROPYL-[3-(L-1-(2-FLUOROBENZYLAMINO)-4-METHYL-1-OXOPENTAN-2-YL)-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39FN3O4PS
InChI InChI=1S/C27H39FN3O4PS/c1-18(2)16-24(25(32)29-17-22-14-10-11-15-23(22)28)30-27(37)31-26(21-12-8-7-9-13-21)36(33,34-19(3)4)35-20(5)6/h7-15,18-20,24,26H,16-17H2,1-6H3,(H,29,32)(H2,30,31,37)/t24-,26?/m1/s1
InChIKey BQWBXCZBVDHXPA-RMVMEJTISA-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 UWLU71576