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

*Links on SpectraBase are not permalinks.

Phthalic acid, monoamide, N,N-diheptyl, butyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, monoamide, N,N-diheptyl, butyl ester
SpectraBase Compound ID 4QBkP9tyqvU
InChI InChI=1S/C26H43NO3/c1-4-7-10-12-16-20-27(21-17-13-11-8-5-2)25(28)23-18-14-15-19-24(23)26(29)30-22-9-6-3/h14-15,18-19H,4-13,16-17,20-22H2,1-3H3
InChIKey GUQDEMQMIUJLSE-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 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 850Ec0Ccgpn
Name Phthalic acid, monoamide, N,N-diheptyl, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.324294246 u
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-4-7-10-12-16-20-27(21-17-13-11-8-5-2)25(28)23-18-14-15-19-24(23)26(29)30-22-9-6-3/h14-15,18-19H,4-13,16-17,20-22H2,1-3H3
InChIKey GUQDEMQMIUJLSE-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)(=O)C1=C(C=CC=C1)C(OCCCC)=O