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1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-4-NITROBENZOATE
SpectraBase Compound ID 7B3y7oj2hjq
InChI InChI=1S/C17H22ClN4O7P/c1-3-27-30(26,28-4-2)12-16(11-21-10-14(9-18)19-20-21)29-17(23)13-5-7-15(8-6-13)22(24)25/h5-8,10,16H,3-4,9,11-12H2,1-2H3
InChIKey OQSAHKNKCVPNNW-UHFFFAOYSA-N
Mol Weight 460.81 g/mol
Molecular Formula C17H22ClN4O7P
Exact Mass 460.091464 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZRmexZea4J
Name 1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-4-NITROBENZOATE
Compound Number 5- D2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22ClN4O7P
InChI InChI=1S/C17H22ClN4O7P/c1-3-27-30(26,28-4-2)12-16(11-21-10-14(9-18)19-20-21)29-17(23)13-5-7-15(8-6-13)22(24)25/h5-8,10,16H,3-4,9,11-12H2,1-2H3
InChIKey OQSAHKNKCVPNNW-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 UWPA2301