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DIISOPROPYL-[3-(L-1-BENZYLAMINO-4-METHYL-1-OXOPENTAN-2-YL)-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID CCIBCRrpS1k
InChI InChI=1S/C27H40N3O4PS/c1-19(2)17-24(25(31)28-18-22-13-9-7-10-14-22)29-27(36)30-26(23-15-11-8-12-16-23)35(32,33-20(3)4)34-21(5)6/h7-16,19-21,24,26H,17-18H2,1-6H3,(H,28,31)(H2,29,30,36)/t24-,26?/m1/s1
InChIKey INRXFDAMLGPTEE-RMVMEJTISA-N
Mol Weight 533.7 g/mol
Molecular Formula C27H40N3O4PS
Exact Mass 533.247715 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJufax85OSq
Name DIISOPROPYL-[3-(L-1-BENZYLAMINO-4-METHYL-1-OXOPENTAN-2-YL)-THIOUREIDO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40N3O4PS
InChI InChI=1S/C27H40N3O4PS/c1-19(2)17-24(25(31)28-18-22-13-9-7-10-14-22)29-27(36)30-26(23-15-11-8-12-16-23)35(32,33-20(3)4)34-21(5)6/h7-16,19-21,24,26H,17-18H2,1-6H3,(H,28,31)(H2,29,30,36)/t24-,26?/m1/s1
InChIKey INRXFDAMLGPTEE-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 UWLU71569