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1-(4-(TERT.-BUTYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-3,5-DINITROBENZOATE
SpectraBase Compound ID K0c2mUJnSrb
InChI InChI=1S/C20H28N5O9P/c1-6-32-35(31,33-7-2)13-17(11-23-12-18(21-22-23)20(3,4)5)34-19(26)14-8-15(24(27)28)10-16(9-14)25(29)30/h8-10,12,17H,6-7,11,13H2,1-5H3
InChIKey NCDBODVBXUJOHM-UHFFFAOYSA-N
Mol Weight 513.44 g/mol
Molecular Formula C20H28N5O9P
Exact Mass 513.162464 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIbEVSA1KcY
Name 1-(4-(TERT.-BUTYL)-1H-1,2,3-TRIAZOL-1-YL)-3-(DIETHOXYPHOSPHORYL)-PROPAN-2-YL-3,5-DINITROBENZOATE
Compound Number 5-C7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N5O9P
InChI InChI=1S/C20H28N5O9P/c1-6-32-35(31,33-7-2)13-17(11-23-12-18(21-22-23)20(3,4)5)34-19(26)14-8-15(24(27)28)10-16(9-14)25(29)30/h8-10,12,17H,6-7,11,13H2,1-5H3
InChIKey NCDBODVBXUJOHM-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 UWPA2299