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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2-fluorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl heptyl ester
SpectraBase Compound ID AMgLzHggXPG
InChI InChI=1S/C21H23FO4/c1-2-3-4-5-8-14-25-20(23)16-10-9-11-17(15-16)21(24)26-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3
InChIKey ZFUSHBOHVUXHNV-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C21H23FO4
Exact Mass 358.158037 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 8VXR3Ntmr8G
Name Isophthalic acid, 2-fluorophenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.158037380 u
Formula C21H23FO4
InChI InChI=1S/C21H23FO4/c1-2-3-4-5-8-14-25-20(23)16-10-9-11-17(15-16)21(24)26-19-13-7-6-12-18(19)22/h6-7,9-13,15H,2-5,8,14H2,1H3
InChIKey ZFUSHBOHVUXHNV-UHFFFAOYSA-N
Molecular Weight 358.409 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCC)=O