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

*Links on SpectraBase are not permalinks.

Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester

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

Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester
SpectraBase Compound ID Ix1e43V4SJZ
InChI InChI=1S/C18H18FNO3/c1-2-3-11-23-18(22)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKey HNAIWKRNFFUCJY-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C18H18FNO3
Exact Mass 315.127072 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 30E6hIaqTbn
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.127071604 u
Formula C18H18FNO3
InChI InChI=1S/C18H18FNO3/c1-2-3-11-23-18(22)14-8-6-7-13(12-14)17(21)20-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,21)
InChIKey HNAIWKRNFFUCJY-UHFFFAOYSA-N
Molecular Weight 315.344 g/mol
SMILES C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCCC)=O)=O)F