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1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate

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1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate
SpectraBase Compound ID HCeJUHlzzLb
InChI InChI=1S/C37H77NO2/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37(39)40-38(3,4,5)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h6-36H2,1-5H3
InChIKey KILYEIQOKXSMAU-UHFFFAOYSA-N
Mol Weight 568.0 g/mol
Molecular Formula C37H77NO2
Exact Mass 567.595431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUAwZOYkbsu
Name 1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.595430721 u
Formula C37H77NO2
InChI InChI=1S/C37H77NO2/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37(39)40-38(3,4,5)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h6-36H2,1-5H3
InChIKey KILYEIQOKXSMAU-UHFFFAOYSA-N
Molecular Weight 568.028 g/mol
SMILES C(CCCCCCCCCCCCCCN(C)(C)(C)OC(=O)CCCCCCCCCCCCCCCCC)C