For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Adipic acid, monoamide, N-ethyl-N-phenyl-, octyl ester
SpectraBase Compound ID GnUZwl9KzCU
InChI InChI=1S/C22H35NO3/c1-3-5-6-7-8-14-19-26-22(25)18-13-12-17-21(24)23(4-2)20-15-10-9-11-16-20/h9-11,15-16H,3-8,12-14,17-19H2,1-2H3
InChIKey DHLWKWONHFXQJD-UHFFFAOYSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID jAJcxnWIhu
Name Adipic acid, monoamide, N-ethyl-N-phenyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-3-5-6-7-8-14-19-26-22(25)18-13-12-17-21(24)23(4-2)20-15-10-9-11-16-20/h9-11,15-16H,3-8,12-14,17-19H2,1-2H3
InChIKey DHLWKWONHFXQJD-UHFFFAOYSA-N
Molecular Weight 361.526 g/mol
SMILES C(CC(=O)N(CC)C1=CC=CC=C1)CCC(OCCCCCCCC)=O