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1,3-Propanediamine, N,N'-bis(dodecanoyl)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,3-Propanediamine, N,N'-bis(dodecanoyl)-
SpectraBase Compound ID 9ioDeI0pOyi
InChI InChI=1S/C27H54N2O2/c1-3-5-7-9-11-13-15-17-19-22-26(30)28-24-21-25-29-27(31)23-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3,(H,28,30)(H,29,31)
InChIKey FFWOOWBZYXDIJQ-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H54N2O2
Exact Mass 438.418529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Aywe6OOtly
Name 1,3-Propanediamine, N,N'-bis(dodecanoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.418528985 u
Formula C27H54N2O2
InChI InChI=1S/C27H54N2O2/c1-3-5-7-9-11-13-15-17-19-22-26(30)28-24-21-25-29-27(31)23-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3,(H,28,30)(H,29,31)
InChIKey FFWOOWBZYXDIJQ-UHFFFAOYSA-N
Molecular Weight 438.741 g/mol
SMILES C(=O)(CCCCCCCCCCC)NCCCNC(=O)CCCCCCCCCCC