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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2,4-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,4-dichlorophenyl octyl ester
SpectraBase Compound ID Jl9qzSEGzqp
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-6-7-13-27-21(25)16-9-8-10-17(14-16)22(26)28-20-12-11-18(23)15-19(20)24/h8-12,14-15H,2-7,13H2,1H3
InChIKey VLRZGMSLJUPWIM-UHFFFAOYSA-N
Mol Weight 423.34 g/mol
Molecular Formula C22H24Cl2O4
Exact Mass 422.105165 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 Atqle9KM3rY
Name Isophthalic acid, 2,4-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.105164649 u
Formula C22H24Cl2O4
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-6-7-13-27-21(25)16-9-8-10-17(14-16)22(26)28-20-12-11-18(23)15-19(20)24/h8-12,14-15H,2-7,13H2,1H3
InChIKey VLRZGMSLJUPWIM-UHFFFAOYSA-N
Molecular Weight 423.336 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCC)=O)=O)=C(C=C1Cl)Cl