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4-(cyclohexylamino)-2,3,5,6-tetrafluoro-benzoic acid 4-bis(amino-methyl-amino)phosphoryloxybutyl ester
SpectraBase Compound ID GgFxFgPP5I
InChI InChI=1S/C19H30F4N5O4P/c1-27(24)33(30,28(2)25)32-11-7-6-10-31-19(29)13-14(20)16(22)18(17(23)15(13)21)26-12-8-4-3-5-9-12/h12,26H,3-11,24-25H2,1-2H3
InChIKey AJBAJDJBOSPEHU-UHFFFAOYSA-N
Mol Weight 499.45 g/mol
Molecular Formula C19H30F4N5O4P
Exact Mass 499.197154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iL3YhGqrgh
Name 4-(cyclohexylamino)-2,3,5,6-tetrafluoro-benzoic acid 4-bis(amino-methyl-amino)phosphoryloxybutyl ester
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H30F4N5O4P
InChI InChI=1S/C19H30F4N5O4P/c1-27(24)33(30,28(2)25)32-11-7-6-10-31-19(29)13-14(20)16(22)18(17(23)15(13)21)26-12-8-4-3-5-9-12/h12,26H,3-11,24-25H2,1-2H3
InChIKey AJBAJDJBOSPEHU-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 499.446 g/mol
Sample ID 26483
Solvent CDCl3