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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2,5-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,5-dichlorophenyl pentyl ester
SpectraBase Compound ID LpM2pzXbqqe
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-12-15(20)8-9-16(17)21/h5-9,11-12H,2-4,10H2,1H3
InChIKey ISZAQIABNPHJGO-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 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 5yuCmxu5wxd
Name Isophthalic acid, 2,5-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-12-15(20)8-9-16(17)21/h5-9,11-12H,2-4,10H2,1H3
InChIKey ISZAQIABNPHJGO-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=C(C(=CC=C1Cl)Cl)OC(=O)C1=CC(C(OCCCCC)=O)=CC=C1