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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-tetradecyl-

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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-tetradecyl-
SpectraBase Compound ID 8gF9QMo1P1K
InChI InChI=1S/C31H55NO/c1-6-7-8-9-10-11-12-13-14-15-16-20-24-32(25-23-29-21-18-17-19-22-29)30(33)26-28(2)27-31(3,4)5/h17-19,21-22,28H,6-16,20,23-27H2,1-5H3
InChIKey ZAOFGKYICHFOLA-UHFFFAOYSA-N
Mol Weight 457.8 g/mol
Molecular Formula C31H55NO
Exact Mass 457.428365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fc3ehvsIYZw
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-tetradecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.428365394 u
Formula C31H55NO
InChI InChI=1S/C31H55NO/c1-6-7-8-9-10-11-12-13-14-15-16-20-24-32(25-23-29-21-18-17-19-22-29)30(33)26-28(2)27-31(3,4)5/h17-19,21-22,28H,6-16,20,23-27H2,1-5H3
InChIKey ZAOFGKYICHFOLA-UHFFFAOYSA-N
Molecular Weight 457.787 g/mol
SMILES C(CC(CC(N(CCCCCCCCCCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C