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4-azido-2,3,5,6-tetrafluoro-benzoic acid 4-bis(amino-methyl-amino)thiophosphoryloxybutyl ester
SpectraBase Compound ID Hx414T0C5jF
InChI InChI=1S/C13H18F4N7O3PS/c1-23(19)28(29,24(2)20)27-6-4-3-5-26-13(25)7-8(14)10(16)12(21-22-18)11(17)9(7)15/h3-6,19-20H2,1-2H3
InChIKey IITWBVXIEKFAPN-UHFFFAOYSA-N
Mol Weight 459.36 g/mol
Molecular Formula C13H18F4N7O3PS
Exact Mass 459.086558 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLfEIQGYjzg
Name 4-azido-2,3,5,6-tetrafluoro-benzoic acid 4-bis(amino-methyl-amino)thiophosphoryloxybutyl ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18F4N7O3PS
InChI InChI=1S/C13H18F4N7O3PS/c1-23(19)28(29,24(2)20)27-6-4-3-5-26-13(25)7-8(14)10(16)12(21-22-18)11(17)9(7)15/h3-6,19-20H2,1-2H3
InChIKey IITWBVXIEKFAPN-UHFFFAOYSA-N
Literature Reference Author R.S.PANDURANGI,P.LUSIAK,R.R.KUNTZ,W.A.VOLKERT,J.ROGOWSKI,M.S .PLATZ
Literature Reference Citation J.ORG.CHEM.,63,9019(1998)
Literature Reference DOI 10.1021/jo981458a
Solvent CDCl3
Source File Reference UWMZ26472