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

*Links on SpectraBase are not permalinks.

Isophthalic acid, monoamide, N,N-diheptyl-, heptyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isophthalic acid, monoamide, N,N-diheptyl-, heptyl ester
SpectraBase Compound ID FIsUO8TCIGz
InChI InChI=1S/C29H49NO3/c1-4-7-10-13-16-22-30(23-17-14-11-8-5-2)28(31)26-20-19-21-27(25-26)29(32)33-24-18-15-12-9-6-3/h19-21,25H,4-18,22-24H2,1-3H3
InChIKey OPIDBDJHDLVIFW-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 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 BOzmSwfLxsz
Name Isophthalic acid, monoamide, N,N-diheptyl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.371244439 u
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-4-7-10-13-16-22-30(23-17-14-11-8-5-2)28(31)26-20-19-21-27(25-26)29(32)33-24-18-15-12-9-6-3/h19-21,25H,4-18,22-24H2,1-3H3
InChIKey OPIDBDJHDLVIFW-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES C1=CC=C(C=C1C(OCCCCCCC)=O)C(N(CCCCCCC)CCCCCCC)=O