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ethanediamide, N~1~-(4-phenylbutyl)-N~2~-(2,4,6-trimethylphenyl)-

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ethanediamide, N~1~-(4-phenylbutyl)-N~2~-(2,4,6-trimethylphenyl)-
SpectraBase Compound ID 224wF5ectqy
InChI InChI=1S/C21H26N2O2/c1-15-13-16(2)19(17(3)14-15)23-21(25)20(24)22-12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKey MYXBFYSQOMJZLS-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VQJmU8XYrV
Name Ethanediamide, N~1~-(4-phenylbutyl)-N~2~-(2,4,6-trimethylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.199428083 u
Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/c1-15-13-16(2)19(17(3)14-15)23-21(25)20(24)22-12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKey MYXBFYSQOMJZLS-UHFFFAOYSA-N
Molecular Weight 338.451 g/mol
SMILES N(C(C(NC=1C(=CC(=CC1C)C)C)=O)=O)CCCCC=1C=CC=CC1