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4-(cyclohexylamino)-2,3,5,6-tetrafluoro-benzoic acid 2-bis(amino-methyl-amino)phosphoryloxyethyl ester
SpectraBase Compound ID EWeKhLjCn41
InChI InChI=1S/C17H26F4N5O4P/c1-25(22)31(28,26(2)23)30-9-8-29-17(27)11-12(18)14(20)16(15(21)13(11)19)24-10-6-4-3-5-7-10/h10,24H,3-9,22-23H2,1-2H3
InChIKey HZCWVSXTQNFKDU-UHFFFAOYSA-N
Mol Weight 471.39 g/mol
Molecular Formula C17H26F4N5O4P
Exact Mass 471.165854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTe1NpPUD4e
Name 4-(cyclohexylamino)-2,3,5,6-tetrafluoro-benzoic acid 2-bis(amino-methyl-amino)phosphoryloxyethyl ester
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26F4N5O4P
InChI InChI=1S/C17H26F4N5O4P/c1-25(22)31(28,26(2)23)30-9-8-29-17(27)11-12(18)14(20)16(15(21)13(11)19)24-10-6-4-3-5-7-10/h10,24H,3-9,22-23H2,1-2H3
InChIKey HZCWVSXTQNFKDU-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
Molecular Weight 471.392 g/mol
Sample ID 26481
Solvent CDCl3