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

*Links on SpectraBase are not permalinks.

Phthalic acid, monoamide, N,N-dioctyl, pentyl ester

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

Phthalic acid, monoamide, N,N-dioctyl, pentyl ester
SpectraBase Compound ID KjTM6L4c9TY
InChI InChI=1S/C29H49NO3/c1-4-7-10-12-14-18-23-30(24-19-15-13-11-8-5-2)28(31)26-21-16-17-22-27(26)29(32)33-25-20-9-6-3/h16-17,21-22H,4-15,18-20,23-25H2,1-3H3
InChIKey LDMFFGUHKROGSU-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 22Y63A5aCo0
Name Phthalic acid, monoamide, N,N-dioctyl, pentyl 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/c1-4-7-10-12-14-18-23-30(24-19-15-13-11-8-5-2)28(31)26-21-16-17-22-27(26)29(32)33-25-20-9-6-3/h16-17,21-22H,4-15,18-20,23-25H2,1-3H3
InChIKey LDMFFGUHKROGSU-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES C(N(C(=O)C1=C(C=CC=C1)C(OCCCCC)=O)CCCCCCCC)CCCCCCC