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Fumaric acid, diamide, N,N,N',N'-tetrahexyl-

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Fumaric acid, diamide, N,N,N',N'-tetrahexyl-
SpectraBase Compound ID 1za0znfBHCe
InChI InChI=1S/C28H54N2O2/c1-5-9-13-17-23-29(24-18-14-10-6-2)27(31)21-22-28(32)30(25-19-15-11-7-3)26-20-16-12-8-4/h21-22H,5-20,23-26H2,1-4H3/b22-21+
InChIKey HFXCWUPCGNFCIG-QURGRASLSA-N
Mol Weight 450.8 g/mol
Molecular Formula C28H54N2O2
Exact Mass 450.418529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Cv1m7WV5C4
Name Fumaric acid, diamide, N,N,N',N'-tetrahexyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.418528985 u
Formula C28H54N2O2
InChI InChI=1S/C28H54N2O2/c1-5-9-13-17-23-29(24-18-14-10-6-2)27(31)21-22-28(32)30(25-19-15-11-7-3)26-20-16-12-8-4/h21-22H,5-20,23-26H2,1-4H3/b22-21+
InChIKey HFXCWUPCGNFCIG-QURGRASLSA-N
Molecular Weight 450.752 g/mol
SMILES C(CCCN(C(\C=C\C(N(CCCCCC)CCCCCC)=O)=O)CCCCCC)CC