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N-Cyclododecyl-N',N'-bis[2-(diethylamino)ethyl]-N-ethyl-1,2-ethanediamine
SpectraBase Compound ID 4MtTSPsoUEm
InChI InChI=1S/C28H60N4/c1-6-29(7-2)22-24-31(25-23-30(8-3)9-4)26-27-32(10-5)28-20-18-16-14-12-11-13-15-17-19-21-28/h28H,6-27H2,1-5H3
InChIKey PDKRYTIVDPIRFT-UHFFFAOYSA-N
Mol Weight 452.8 g/mol
Molecular Formula C28H60N4
Exact Mass 452.481798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNB820QxNKY
Name N-Cyclododecyl-N',N'-bis[2-(diethylamino)ethyl]-N-ethyl-1,2-ethanediamine
Comments Computed using HOSE algorithm
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Exact Mass 452.481797948 u
Formula C28H60N4
InChI InChI=1S/C28H60N4/c1-6-29(7-2)22-24-31(25-23-30(8-3)9-4)26-27-32(10-5)28-20-18-16-14-12-11-13-15-17-19-21-28/h28H,6-27H2,1-5H3
InChIKey PDKRYTIVDPIRFT-UHFFFAOYSA-N
Molecular Weight 452.816 g/mol
SMILES C(CN(CCN(CC)CC)CCN(CC)CC)N(CC)C1CCCCCCCCCCC1