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DIETHYL-[3-[L-4-METHYL-1-OXO-1-(4-(TRIFLUOROMETHYL)-PHENYLAMINO)-PENTAN-2-YL]-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 5DQVMMiTvrk
InChI InChI=1S/C26H35F3N3O4PS/c1-5-35-37(34,36-6-2)24(20-10-8-7-9-11-20)32-25(38)31-22(16-18(3)4)23(33)30-17-19-12-14-21(15-13-19)26(27,28)29/h7-15,18,22,24H,5-6,16-17H2,1-4H3,(H,30,33)(H2,31,32,38)/t22-,24?/m1/s1
InChIKey VVBQDCMZHSZGIC-LETIRJCYSA-N
Mol Weight 573.6 g/mol
Molecular Formula C26H35F3N3O4PS
Exact Mass 573.203799 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6FGX70hPRr
Name DIETHYL-[3-[L-4-METHYL-1-OXO-1-(4-(TRIFLUOROMETHYL)-PHENYLAMINO)-PENTAN-2-YL]-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 3M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H35F3N3O4PS
InChI InChI=1S/C26H35F3N3O4PS/c1-5-35-37(34,36-6-2)24(20-10-8-7-9-11-20)32-25(38)31-22(16-18(3)4)23(33)30-17-19-12-14-21(15-13-19)26(27,28)29/h7-15,18,22,24H,5-6,16-17H2,1-4H3,(H,30,33)(H2,31,32,38)/t22-,24?/m1/s1
InChIKey VVBQDCMZHSZGIC-LETIRJCYSA-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 UWLU71579