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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 3,5-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-dichlorophenyl hexyl ester
SpectraBase Compound ID BSgQt3LFhG3
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-9-25-19(23)14-7-6-8-15(10-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-8,10-13H,2-5,9H2,1H3
InChIKey CSHXXISCRFXTBX-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 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 4OU8ZrqgnC2
Name Isophthalic acid, 3,5-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-9-25-19(23)14-7-6-8-15(10-14)20(24)26-18-12-16(21)11-17(22)13-18/h6-8,10-13H,2-5,9H2,1H3
InChIKey CSHXXISCRFXTBX-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCC)C(OC1=CC(=CC(=C1)Cl)Cl)=O