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1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-4-METHOXYBENZOATE
SpectraBase Compound ID BLLjDvXioZn
InChI InChI=1S/C18H25ClN3O6P/c1-4-26-29(24,27-5-2)13-17(12-22-11-15(10-19)20-21-22)28-18(23)14-6-8-16(25-3)9-7-14/h6-9,11,17H,4-5,10,12-13H2,1-3H3
InChIKey UAKAWPDJSXBDJW-UHFFFAOYSA-N
Mol Weight 445.84 g/mol
Molecular Formula C18H25ClN3O6P
Exact Mass 445.11695 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qlk1HwNqLa
Name 1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-4-METHOXYBENZOATE
Compound Number 5-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25ClN3O6P
InChI InChI=1S/C18H25ClN3O6P/c1-4-26-29(24,27-5-2)13-17(12-22-11-15(10-19)20-21-22)28-18(23)14-6-8-16(25-3)9-7-14/h6-9,11,17H,4-5,10,12-13H2,1-3H3
InChIKey UAKAWPDJSXBDJW-UHFFFAOYSA-N
Literature Reference Author Y.JIN,H.ZHAO,H.LU,C.M.KUEMMEL,J.ZHANG,D.WANG
Literature Reference Citation MOLECULES,20,1088(2015)
Literature Reference DOI 10.3390/molecules20011088
Solvent CDCl3
Source File Reference UWPA2305