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Hexanoylamide, 2-ethyl-N-benzyl-N-octadecyl-
SpectraBase Compound ID KyiwPQTt6EG
InChI InChI=1S/C33H59NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-34(30-31-26-23-22-24-27-31)33(35)32(6-3)28-8-5-2/h22-24,26-27,32H,4-21,25,28-30H2,1-3H3
InChIKey ZPWQSYHAFYKZBD-UHFFFAOYSA-N
Mol Weight 485.8 g/mol
Molecular Formula C33H59NO
Exact Mass 485.459666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lSXP7J9hmL
Name Hexanoylamide, 2-ethyl-N-benzyl-N-octadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.459665523 u
Formula C33H59NO
InChI InChI=1S/C33H59NO/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-34(30-31-26-23-22-24-27-31)33(35)32(6-3)28-8-5-2/h22-24,26-27,32H,4-21,25,28-30H2,1-3H3
InChIKey ZPWQSYHAFYKZBD-UHFFFAOYSA-N
Molecular Weight 485.841 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(CC)CCCC