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

*Links on SpectraBase are not permalinks.

Isophthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester
SpectraBase Compound ID Ct0OPtqS6ih
InChI InChI=1S/C20H23NO3/c1-3-4-5-12-24-20(23)17-10-7-9-16(14-17)19(22)21-18-11-6-8-15(2)13-18/h6-11,13-14H,3-5,12H2,1-2H3,(H,21,22)
InChIKey HHUAMJHWANZNIZ-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 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 2oyjo0lHXw1
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.167793602 u
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-3-4-5-12-24-20(23)17-10-7-9-16(14-17)19(22)21-18-11-6-8-15(2)13-18/h6-11,13-14H,3-5,12H2,1-2H3,(H,21,22)
InChIKey HHUAMJHWANZNIZ-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C1=C(C=C(C=C1)C)NC(C1=CC(=CC=C1)C(OCCCCC)=O)=O