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2-(4-{2-[(2-Aminoethyl)amino]ethyl}piperazin-1-yl)ethan-1-amine, N,N',N''-triacetyl-
SpectraBase Compound ID K3gSx5EPDJE
InChI InChI=1S/C16H31N5O3/c1-14(22)17-4-6-19-8-10-20(11-9-19)12-13-21(16(3)24)7-5-18-15(2)23/h4-13H2,1-3H3,(H,17,22)(H,18,23)
InChIKey SIRWJLGPILFZTL-UHFFFAOYSA-N
Mol Weight 341.46 g/mol
Molecular Formula C16H31N5O3
Exact Mass 341.24269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SVCsI9DbkY
Name 2-(4-{2-[(2-Aminoethyl)amino]ethyl}piperazin-1-yl)ethan-1-amine, N,N',N''-triacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 341.242689875 u
Formula C16H31N5O3
InChI InChI=1S/C16H31N5O3/c1-14(22)17-4-6-19-8-10-20(11-9-19)12-13-21(16(3)24)7-5-18-15(2)23/h4-13H2,1-3H3,(H,17,22)(H,18,23)
InChIKey SIRWJLGPILFZTL-UHFFFAOYSA-N
Molecular Weight 341.456 g/mol
SMILES C1N(CCN(C1)CCNC(C)=O)CCN(CCNC(C)=O)C(=O)C