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N~1~,N~6~-bis(2-isopropyl-6-methylphenyl)hexanediamide

View entire compound with spectra: 2 NMR

N~1~,N~6~-bis(2-isopropyl-6-methylphenyl)hexanediamide
SpectraBase Compound ID BRIW1trfQkl
InChI InChI=1S/C26H36N2O2/c1-17(2)21-13-9-11-19(5)25(21)27-23(29)15-7-8-16-24(30)28-26-20(6)12-10-14-22(26)18(3)4/h9-14,17-18H,7-8,15-16H2,1-6H3,(H,27,29)(H,28,30)
InChIKey PZQAMVHQAWTPBV-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H36N2O2
Exact Mass 408.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDGVpkJQvjc
Name N~1~,N~6~-bis(2-Isopropyl-6-methylphenyl)hexanediamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.277678405 u
Formula C26H36N2O2
InChI InChI=1S/C26H36N2O2/c1-17(2)21-13-9-11-19(5)25(21)27-23(29)15-7-8-16-24(30)28-26-20(6)12-10-14-22(26)18(3)4/h9-14,17-18H,7-8,15-16H2,1-6H3,(H,27,29)(H,28,30)
InChIKey PZQAMVHQAWTPBV-UHFFFAOYSA-N
Molecular Weight 408.586 g/mol
SMILES N(C=1C(C(C)C)=CC=CC1C)C(CCCCC(NC=1C(C(C)C)=CC=CC1C)=O)=O