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1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-3,5-DINITROBENZOATE
SpectraBase Compound ID FtetENuVUxO
InChI InChI=1S/C17H21ClN5O9P/c1-3-30-33(29,31-4-2)11-16(10-21-9-13(8-18)19-20-21)32-17(24)12-5-14(22(25)26)7-15(6-12)23(27)28/h5-7,9,16H,3-4,8,10-11H2,1-2H3
InChIKey LELIXYZDTSGZJF-UHFFFAOYSA-N
Mol Weight 505.81 g/mol
Molecular Formula C17H21ClN5O9P
Exact Mass 505.076542 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYJ5WhGbj0A
Name 1-(4-(CHLOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-3,5-DINITROBENZOATE
Compound Number 5-D7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN5O9P
InChI InChI=1S/C17H21ClN5O9P/c1-3-30-33(29,31-4-2)11-16(10-21-9-13(8-18)19-20-21)32-17(24)12-5-14(22(25)26)7-15(6-12)23(27)28/h5-7,9,16H,3-4,8,10-11H2,1-2H3
InChIKey LELIXYZDTSGZJF-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 UWPA2306