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1-ACETATO-4-PROPYLAMINO-1,4,7-TRIAZACYCLONONANE-TRIHYDROBROMIDE-DIHYDRATE-SALT
SpectraBase Compound ID 8djhVLFhDzl
InChI InChI=1S/C11H24N4O2.3BrH.2H2O/c12-2-1-5-14-6-3-13-4-7-15(9-8-14)10-11(16)17;;;;;/h13H,1-10,12H2,(H,16,17);3*1H;2*1H2
InChIKey PVEHNIDJJVGXRR-UHFFFAOYSA-N
Mol Weight 523.105 g/mol
Molecular Formula C11H31Br3N4O4
Exact Mass 519.989544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFWtoSdjI7b
Name 1-ACETATO-4-PROPYLAMINO-1,4,7-TRIAZACYCLONONANE-TRIHYDROBROMIDE-DIHYDRATE-SALT
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H31Br3N4O4
InChI InChI=1S/C11H24N4O2.3BrH.2H2O/c12-2-1-5-14-6-3-13-4-7-15(9-8-14)10-11(16)17;;;;;/h13H,1-10,12H2,(H,16,17);3*1H;2*1H2
InChIKey PVEHNIDJJVGXRR-UHFFFAOYSA-N
Literature Reference Author A.WARDEN,B.GRAHAM,M.T.W.HEARN,L.SPICCIA
Literature Reference Citation ORG.LETTERS,3,2855(2001)
Literature Reference DOI 10.1021/ol016291d
Molecular Weight 523.104 g/mol
Solvent D2O
Source File Reference UWVN30743