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N,N-diethyl-n'-(1-methyloctadecyl)-1,3-propanediamine
SpectraBase Compound ID 6VxKRG9Fwbc
InChI InChI=1S/C26H56N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(4)27-24-22-25-28(6-2)7-3/h26-27H,5-25H2,1-4H3
InChIKey WNEBZAMHWBCSRX-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H56N2
Exact Mass 396.44435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcDcOkbI5as
Name N,N-Diethyl-N'-(1-methyloctadecyl)-1,3-propanediamine
Comments Computed using HOSE algorithm
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Exact Mass 396.444349811 u
Formula C26H56N2
InChI InChI=1S/C26H56N2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(4)27-24-22-25-28(6-2)7-3/h26-27H,5-25H2,1-4H3
InChIKey WNEBZAMHWBCSRX-UHFFFAOYSA-N
Molecular Weight 396.748 g/mol
SMILES N(C(CCCCCCCCCCCCCCCCC)C)CCCN(CC)CC