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1,4-Benzenediamine, N4,N4-didodecyl-2-methyl-

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1,4-Benzenediamine, N4,N4-didodecyl-2-methyl-
SpectraBase Compound ID ISsGcT3QfHN
InChI InChI=1S/C31H58N2/c1-4-6-8-10-12-14-16-18-20-22-26-33(30-24-25-31(32)29(3)28-30)27-23-21-19-17-15-13-11-9-7-5-2/h24-25,28H,4-23,26-27,32H2,1-3H3
InChIKey RKMPJBLZNJFVIY-UHFFFAOYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C31H58N2
Exact Mass 458.46 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xcvqY54ND8
Name 1,4-Benzenediamine, N4,N4-didodecyl-2-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.459999876 u
Formula C31H58N2
InChI InChI=1S/C31H58N2/c1-4-6-8-10-12-14-16-18-20-22-26-33(30-24-25-31(32)29(3)28-30)27-23-21-19-17-15-13-11-9-7-5-2/h24-25,28H,4-23,26-27,32H2,1-3H3
InChIKey RKMPJBLZNJFVIY-UHFFFAOYSA-N
Molecular Weight 458.819 g/mol
SMILES CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC=C(C(=C1)C)N