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DIISOPROPYL-[3-[L-4-METHYL-1-OXO-1-(4-(TRIFLUOROMETHYL)-PHENYLAMINO)-PENTAN-2-YL]-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 3UCLVgMudrR
InChI InChI=1S/C28H39F3N3O4PS/c1-18(2)16-24(25(35)32-17-21-12-14-23(15-13-21)28(29,30)31)33-27(40)34-26(22-10-8-7-9-11-22)39(36,37-19(3)4)38-20(5)6/h7-15,18-20,24,26H,16-17H2,1-6H3,(H,32,35)(H2,33,34,40)/t24-,26?/m1/s1
InChIKey HBOXVCNARZBVMO-RMVMEJTISA-N
Mol Weight 601.7 g/mol
Molecular Formula C28H39F3N3O4PS
Exact Mass 601.235099 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IKcWnnwRjF
Name DIISOPROPYL-[3-[L-4-METHYL-1-OXO-1-(4-(TRIFLUOROMETHYL)-PHENYLAMINO)-PENTAN-2-YL]-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39F3N3O4PS
InChI InChI=1S/C28H39F3N3O4PS/c1-18(2)16-24(25(35)32-17-21-12-14-23(15-13-21)28(29,30)31)33-27(40)34-26(22-10-8-7-9-11-22)39(36,37-19(3)4)38-20(5)6/h7-15,18-20,24,26H,16-17H2,1-6H3,(H,32,35)(H2,33,34,40)/t24-,26?/m1/s1
InChIKey HBOXVCNARZBVMO-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 UWLU71580